N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide

C16H17ClN6O — CID 155958138

IUPACN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)nn1C
InChIInChI=1S/C16H17ClN6O/c1-3-5-11-10-13(20-22(11)2)16(24)19-14-7-9-23(21-14)15-12(17)6-4-8-18-15/h4,6-10H,3,5H2,1-2H3,(H,19,21,24)
InChIKeyVSJJPGASGQEJTD-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.86
Rot. Bonds5

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

N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide (PubChem CID 155958138) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide
PubChem CID155958138
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)nn1C
InChIInChI=1S/C16H17ClN6O/c1-3-5-11-10-13(20-22(11)2)16(24)19-14-7-9-23(21-14)15-12(17)6-4-8-18-15/h4,6-10H,3,5H2,1-2H3,(H,19,21,24)
InChIKeyVSJJPGASGQEJTD-UHFFFAOYSA-N
XLogP2.86
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-5-propan-2-ylpyridine-2-carboxamide
CID 155948532
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
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91842692
5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
CID 51999721
N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide
CID 154750641
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide
CID 90096262

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide (CID 155958138) is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)nn1C.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide?
The InChIKey is VSJJPGASGQEJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-3-5-11-10-13(20-22(11)2)16(24)19-14-7-9-23(21-14)15-12(17)6-4-8-18-15/h4,6-10H,3,5H2,1-2H3,(H,19,21,24).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide?
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide has a molecular weight of 344.81 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide is sourced from PubChem (CID 155958138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).