N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide

C17H16ClN5O — CID 155948532

IUPACN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)nc1
InChIInChI=1S/C17H16ClN5O/c1-11(2)12-5-6-14(20-10-12)17(24)21-15-7-9-23(22-15)16-13(18)4-3-8-19-16/h3-11H,1-2H3,(H,21,22,24)
InChIKeySAMHXXCGUNKGBT-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.69
Rot. Bonds4

About N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide

N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide (PubChem CID 155948532) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide
PubChem CID155948532
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)nc1
InChIInChI=1S/C17H16ClN5O/c1-11(2)12-5-6-14(20-10-12)17(24)21-15-7-9-23(22-15)16-13(18)4-3-8-19-16/h3-11H,1-2H3,(H,21,22,24)
InChIKeySAMHXXCGUNKGBT-UHFFFAOYSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
CID 99626160
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide
CID 155958138
1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine
CID 130684274
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016655
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide
CID 155957425
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 155960964
3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine
CID 91004341
2-(3-bromopyrazol-1-yl)-3-chloropyridine
CID 174603551
3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine
CID 141187015
N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide
CID 154750641
5-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 103817139
1-(3,3-dimethylbutan-2-yl)-3-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]urea
CID 154840300

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide (CID 155948532) is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide is CC(C)c1ccc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)nc1.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide?
The InChIKey is SAMHXXCGUNKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11(2)12-5-6-14(20-10-12)17(24)21-15-7-9-23(22-15)16-13(18)4-3-8-19-16/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide?
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 155948532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).