N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide

C15H17ClFN5O — CID 172891424

IUPACN-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C15H17ClFN5O/c1-21-13(4-5-19-21)15(23)20-11-3-2-6-22(9-11)14-12(17)7-10(16)8-18-14/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,20,23)
InChIKeyDVBNVIBWCLMQOZ-UHFFFAOYSA-N
MW337.79 g/mol
LogP2.01
Rot. Bonds3

About N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide

N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 172891424) has the molecular formula C15H17ClFN5O and a molecular weight of 337.79 g/mol. Its IUPAC name is N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID172891424
Molecular FormulaC15H17ClFN5O
Molecular Weight337.79 g/mol
Exact Mass337.11
IUPAC NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C15H17ClFN5O/c1-21-13(4-5-19-21)15(23)20-11-3-2-6-22(9-11)14-12(17)7-10(16)8-18-14/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,20,23)
InChIKeyDVBNVIBWCLMQOZ-UHFFFAOYSA-N
XLogP2.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892155
2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891341
2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
CID 79727350
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892678
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 172892664
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
N-[1-(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892767
N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357365

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide (CID 172891424) is N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCCN(c2ncc(Cl)cc2F)C1.
What is the InChIKey of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is DVBNVIBWCLMQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN5O/c1-21-13(4-5-19-21)15(23)20-11-3-2-6-22(9-11)14-12(17)7-10(16)8-18-14/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,20,23).
What are the key properties of N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 337.79 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 172891424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).