(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone

C14H16ClN5O — CID 77084225

IUPAC(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESNc1n[nH]c(C(=O)N2CCCCC2c2ccccn2)c1Cl
InChIInChI=1S/C14H16ClN5O/c15-11-12(18-19-13(11)16)14(21)20-8-4-2-6-10(20)9-5-1-3-7-17-9/h1,3,5,7,10H,2,4,6,8H2,(H3,16,18,19)
InChIKeyVBSFXXKVHJBAEM-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.41
Rot. Bonds2

About (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone

(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 77084225) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID77084225
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESNc1n[nH]c(C(=O)N2CCCCC2c2ccccn2)c1Cl
InChIInChI=1S/C14H16ClN5O/c15-11-12(18-19-13(11)16)14(21)20-8-4-2-6-10(20)9-5-1-3-7-17-9/h1,3,5,7,10H,2,4,6,8H2,(H3,16,18,19)
InChIKeyVBSFXXKVHJBAEM-UHFFFAOYSA-N
XLogP2.41
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
(3-amino-4-chloro-1H-pyrazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 99931811
4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 99953113
(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 77098141
4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 77093447
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 97137913
(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one
CID 100819553
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone (CID 77084225) is (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone is Nc1n[nH]c(C(=O)N2CCCCC2c2ccccn2)c1Cl.
What is the InChIKey of (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is VBSFXXKVHJBAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-11-12(18-19-13(11)16)14(21)20-8-4-2-6-10(20)9-5-1-3-7-17-9/h1,3,5,7,10H,2,4,6,8H2,(H3,16,18,19).
What are the key properties of (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone?
(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 305.77 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 77084225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).