(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C17H21N5O — CID 120731863

IUPAC(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCn1nc(C(=O)N2CCNCC2c2cccnc2)cc1C1CC1
InChIInChI=1S/C17H21N5O/c1-21-15(12-4-5-12)9-14(20-21)17(23)22-8-7-19-11-16(22)13-3-2-6-18-10-13/h2-3,6,9-10,12,16,19H,4-5,7-8,11H2,1H3
InChIKeyBVJWWVCYOUYQPR-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.48
Rot. Bonds3

About (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120731863) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120731863
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCn1nc(C(=O)N2CCNCC2c2cccnc2)cc1C1CC1
InChIInChI=1S/C17H21N5O/c1-21-15(12-4-5-12)9-14(20-21)17(23)22-8-7-19-11-16(22)13-3-2-6-18-10-13/h2-3,6,9-10,12,16,19H,4-5,7-8,11H2,1H3
InChIKeyBVJWWVCYOUYQPR-UHFFFAOYSA-N
XLogP1.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731862
(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737538
(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731790
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732429
1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride
CID 120732596
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120731863) is (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cn1nc(C(=O)N2CCNCC2c2cccnc2)cc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is BVJWWVCYOUYQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21-15(12-4-5-12)9-14(20-21)17(23)22-8-7-19-11-16(22)13-3-2-6-18-10-13/h2-3,6,9-10,12,16,19H,4-5,7-8,11H2,1H3.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120731863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).