2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide

C19H33N5O — CID 70713788

IUPAC2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
SMILESCCCN1CCCn2nc(CNC(=O)CN(C)C3CCCC3)cc2C1
InChIInChI=1S/C19H33N5O/c1-3-9-23-10-6-11-24-18(14-23)12-16(21-24)13-20-19(25)15-22(2)17-7-4-5-8-17/h12,17H,3-11,13-15H2,1-2H3,(H,20,25)
InChIKeyAVMMQDIMHAJVIZ-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.99
Rot. Bonds7

About 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide

2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide (PubChem CID 70713788) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
PubChem CID70713788
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
SMILESCCCN1CCCn2nc(CNC(=O)CN(C)C3CCCC3)cc2C1
InChIInChI=1S/C19H33N5O/c1-3-9-23-10-6-11-24-18(14-23)12-16(21-24)13-20-19(25)15-22(2)17-7-4-5-8-17/h12,17H,3-11,13-15H2,1-2H3,(H,20,25)
InChIKeyAVMMQDIMHAJVIZ-UHFFFAOYSA-N
XLogP1.99
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
N-cycloheptyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224578
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392
2-(3,5-dimethylpyrazol-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 45818825
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 53591113
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 53625430
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 53626948
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-[(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 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide (CID 70713788) is 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide is CCCN1CCCn2nc(CNC(=O)CN(C)C3CCCC3)cc2C1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide?
The InChIKey is AVMMQDIMHAJVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-3-9-23-10-6-11-24-18(14-23)12-16(21-24)13-20-19(25)15-22(2)17-7-4-5-8-17/h12,17H,3-11,13-15H2,1-2H3,(H,20,25).
What are the key properties of 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide?
2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide has a molecular weight of 347.51 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide is sourced from PubChem (CID 70713788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).