(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone

C14H17ClN4O — CID 2982117

IUPAC(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C14H17ClN4O/c1-2-10-6-3-4-8-18(10)14(20)12-11(15)13-16-7-5-9-19(13)17-12/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyOQBYZNVSYNAWQW-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.79
Rot. Bonds2

About (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone

(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 2982117) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID2982117
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C14H17ClN4O/c1-2-10-6-3-4-8-18(10)14(20)12-11(15)13-16-7-5-9-19(13)17-12/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyOQBYZNVSYNAWQW-UHFFFAOYSA-N
XLogP2.79
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
2-(1-Azepanylcarbonyl)-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
CID 567052
6-(2-Chloroethyl)-2-[(2,6-dimethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 4986508
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
3-Chloro-2-[(4-phenyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1258119
N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2978661
3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2980781
2-{4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinyl}pyrimidine
CID 4769678
(4-Chloro-1-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-yl-piperazin-1-yl)-methanone
CID 653135
(5-Chloro-2-methylpyrimidin-4-yl)-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72125336
(4-chloro-1-ethyl-1H-pyrazol-3-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631569

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone (CID 2982117) is (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1nn2cccnc2c1Cl.
What is the InChIKey of (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is OQBYZNVSYNAWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-10-6-3-4-8-18(10)14(20)12-11(15)13-16-7-5-9-19(13)17-12/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone?
(3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 292.77 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 2982117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).