5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C14H17ClN6O — CID 75378860

IUPAC5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(Cl)cc(N2CCCC(c3cc(C(N)=O)n[nH]3)C2)n1
InChIInChI=1S/C14H17ClN6O/c1-8-17-12(15)6-13(18-8)21-4-2-3-9(7-21)10-5-11(14(16)22)20-19-10/h5-6,9H,2-4,7H2,1H3,(H2,16,22)(H,19,20)
InChIKeyAYMUHMCSEBDNQZ-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.64
Rot. Bonds3

About 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 75378860) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID75378860
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(Cl)cc(N2CCCC(c3cc(C(N)=O)n[nH]3)C2)n1
InChIInChI=1S/C14H17ClN6O/c1-8-17-12(15)6-13(18-8)21-4-2-3-9(7-21)10-5-11(14(16)22)20-19-10/h5-6,9H,2-4,7H2,1H3,(H2,16,22)(H,19,20)
InChIKeyAYMUHMCSEBDNQZ-UHFFFAOYSA-N
XLogP1.64
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513943
5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373887
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217786
5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514082
5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514023
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
5-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514043
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 75378860) is 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is Cc1nc(Cl)cc(N2CCCC(c3cc(C(N)=O)n[nH]3)C2)n1.
What is the InChIKey of 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is AYMUHMCSEBDNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O/c1-8-17-12(15)6-13(18-8)21-4-2-3-9(7-21)10-5-11(14(16)22)20-19-10/h5-6,9H,2-4,7H2,1H3,(H2,16,22)(H,19,20).
What are the key properties of 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 75378860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).