N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

C18H22N4O — CID 20951669

IUPACN-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCc1cc2n(n1)CCCN2Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H22N4O/c1-13-11-17-21(9-2-10-22(17)20-13)12-14-3-5-15(6-4-14)18(23)19-16-7-8-16/h3-6,11,16H,2,7-10,12H2,1H3,(H,19,23)
InChIKeyZQWNMSAVYXTNPF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.49
Rot. Bonds4

About N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (PubChem CID 20951669) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
PubChem CID20951669
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCc1cc2n(n1)CCCN2Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H22N4O/c1-13-11-17-21(9-2-10-22(17)20-13)12-14-3-5-15(6-4-14)18(23)19-16-7-8-16/h3-6,11,16H,2,7-10,12H2,1H3,(H,19,23)
InChIKeyZQWNMSAVYXTNPF-UHFFFAOYSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 46341582
N-(4-aminocyclohexyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119474893
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-cyclopropyl-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20919984
cis-(1S,3R)-3-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676160
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]benzamide
CID 131915877
N-cyclopropyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034567
N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide
CID 53049892
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-cyclohexylbenzamide
CID 53003716
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364
4-[(1-acetylpiperidin-4-yl)methyl]-N-cyclopropylbenzamide
CID 110198053

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (CID 20951669) is N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is Cc1cc2n(n1)CCCN2Cc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The InChIKey is ZQWNMSAVYXTNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-11-17-21(9-2-10-22(17)20-13)12-14-3-5-15(6-4-14)18(23)19-16-7-8-16/h3-6,11,16H,2,7-10,12H2,1H3,(H,19,23).
What are the key properties of N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 20951669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).