N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide

C18H25N5O — CID 124820243

IUPACN-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC[C@@H]1CN(CC2CC2)Cc2ccnn2C1
InChIInChI=1S/C18H25N5O/c1-21-8-2-3-17(21)18(24)19-9-15-11-22(10-14-4-5-14)13-16-6-7-20-23(16)12-15/h2-3,6-8,14-15H,4-5,9-13H2,1H3,(H,19,24)/t15-/m1/s1
InChIKeySSTPWTVBJIACKH-OAHLLOKOSA-N
MW327.43 g/mol
LogP1.49
Rot. Bonds5

About N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 124820243) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID124820243
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC[C@@H]1CN(CC2CC2)Cc2ccnn2C1
InChIInChI=1S/C18H25N5O/c1-21-8-2-3-17(21)18(24)19-9-15-11-22(10-14-4-5-14)13-16-6-7-20-23(16)12-15/h2-3,6-8,14-15H,4-5,9-13H2,1H3,(H,19,24)/t15-/m1/s1
InChIKeySSTPWTVBJIACKH-OAHLLOKOSA-N
XLogP1.49
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyridazine-4-carboxamide
CID 131671990
N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide
CID 124782236
N-[2-[(7R)-5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124813571
N-[2-[(7S)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124818888
N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide
CID 133144224
N-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide
CID 124912648
N-[2-[5-(cyclopentylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155839992
2-[[5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 171693209
[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 118746052
N-[[5-[(4-chlorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 131663081
1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide
CID 124820223
1-methyl-N-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861974

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 124820243) is N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC[C@@H]1CN(CC2CC2)Cc2ccnn2C1.
What is the InChIKey of N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is SSTPWTVBJIACKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-21-8-2-3-17(21)18(24)19-9-15-11-22(10-14-4-5-14)13-16-6-7-20-23(16)12-15/h2-3,6-8,14-15H,4-5,9-13H2,1H3,(H,19,24)/t15-/m1/s1.
What are the key properties of N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 124820243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).