(3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone

C14H19N7O — CID 154786700

IUPAC(3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCn3nnnc32)c(C2CCCC2)n1
InChIInChI=1S/C14H19N7O/c1-19-9-11(12(16-19)10-5-2-3-6-10)13(22)20-7-4-8-21-14(20)15-17-18-21/h9-10H,2-8H2,1H3
InChIKeyINQZNUPYZPEGLF-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.11
Rot. Bonds2

About (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone

(3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone (PubChem CID 154786700) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone
PubChem CID154786700
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name(3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCn3nnnc32)c(C2CCCC2)n1
InChIInChI=1S/C14H19N7O/c1-19-9-11(12(16-19)10-5-2-3-6-10)13(22)20-7-4-8-21-14(20)15-17-18-21/h9-10H,2-8H2,1H3
InChIKeyINQZNUPYZPEGLF-UHFFFAOYSA-N
XLogP1.11
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-cyclohexyl-1-methylpyrazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292675
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95348396
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
CID 83873172
1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 154761725
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347771
3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide
CID 127418888
(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]methanone
CID 136543794
2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
CID 166410231
3-cyclopentyl-1-methyl-N-pyridin-2-ylsulfonylpyrazole-4-carboxamide
CID 146104183
6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 129488432
(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-[4-(oxolan-2-yl)piperidin-1-yl]methanone
CID 128882752

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone?
The IUPAC name of (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone (CID 154786700) is (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone.
What is the SMILES notation for (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone?
The canonical SMILES for (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone is Cn1cc(C(=O)N2CCCn3nnnc32)c(C2CCCC2)n1.
What is the InChIKey of (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone?
The InChIKey is INQZNUPYZPEGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-19-9-11(12(16-19)10-5-2-3-6-10)13(22)20-7-4-8-21-14(20)15-17-18-21/h9-10H,2-8H2,1H3.
What are the key properties of (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone?
(3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone is sourced from PubChem (CID 154786700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).