6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid

C17H20ClN3O3 — CID 119352202

IUPAC6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C17H20ClN3O3/c1-12-15(17(24)19-10-4-2-3-5-16(22)23)11-21(20-12)14-8-6-13(18)7-9-14/h6-9,11H,2-5,10H2,1H3,(H,19,24)(H,22,23)
InChIKeySXFWPNDJJKYCKF-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.21
Rot. Bonds8

About 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid

6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid (PubChem CID 119352202) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid
PubChem CID119352202
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C17H20ClN3O3/c1-12-15(17(24)19-10-4-2-3-5-16(22)23)11-21(20-12)14-8-6-13(18)7-9-14/h6-9,11H,2-5,10H2,1H3,(H,19,24)(H,22,23)
InChIKeySXFWPNDJJKYCKF-UHFFFAOYSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 103790923
1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119447036
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
1-(4-chlorophenyl)-3-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119535760
(2S)-2-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359973
1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 136515418
1-(4-chlorophenyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512235
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid (CID 119352202) is 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid is Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid?
The InChIKey is SXFWPNDJJKYCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-12-15(17(24)19-10-4-2-3-5-16(22)23)11-21(20-12)14-8-6-13(18)7-9-14/h6-9,11H,2-5,10H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid?
6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid has a molecular weight of 349.82 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119352202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).