3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide

C15H27N5O — CID 70767779

IUPAC3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)CCN)cc2C1
InChIInChI=1S/C15H27N5O/c1-12(2)10-19-6-3-7-20-14(11-19)8-13(18-20)9-17-15(21)4-5-16/h8,12H,3-7,9-11,16H2,1-2H3,(H,17,21)
InChIKeySXOQGONFNBLAMD-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.71
Rot. Bonds6

About 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide

3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide (PubChem CID 70767779) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide
PubChem CID70767779
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)CCN)cc2C1
InChIInChI=1S/C15H27N5O/c1-12(2)10-19-6-3-7-20-14(11-19)8-13(18-20)9-17-15(21)4-5-16/h8,12H,3-7,9-11,16H2,1-2H3,(H,17,21)
InChIKeySXOQGONFNBLAMD-UHFFFAOYSA-N
XLogP0.71
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 16191009
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 5241859
2-(3,5-dimethylpyrazol-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 45818825
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49786572
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide
CID 51075402
3-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]propanamide
CID 53616736
methyl {2-[2-{[(3S)-3-fluoro-1-pyrrolidinyl]methyl}-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}carbamate (non-preferred name)
CID 56886477
3-methoxy-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
CID 70709977
N~2~-cyclopentyl-N~2~-methyl-N~1~-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]glycinamide
CID 70713788
N-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(methylthio)propanamide
CID 70717004
methyl [(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]carbamate
CID 70721386

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide (CID 70767779) is 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide is CC(C)CN1CCCn2nc(CNC(=O)CCN)cc2C1.
What is the InChIKey of 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide?
The InChIKey is SXOQGONFNBLAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12(2)10-19-6-3-7-20-14(11-19)8-13(18-20)9-17-15(21)4-5-16/h8,12H,3-7,9-11,16H2,1-2H3,(H,17,21).
What are the key properties of 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide?
3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide has a molecular weight of 293.42 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]propanamide is sourced from PubChem (CID 70767779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).