1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid

C19H23N3O3 — CID 120538733

IUPAC1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
SMILESCc1cnn(-c2ccc(C(=O)NC3(C(=O)O)CCCCCC3)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-14-12-20-22(13-14)16-8-6-15(7-9-16)17(23)21-19(18(24)25)10-4-2-3-5-11-19/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,23)(H,24,25)
InChIKeyKYEDVSMJALPFHH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.09
Rot. Bonds4

About 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid

1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 120538733) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
PubChem CID120538733
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
SMILESCc1cnn(-c2ccc(C(=O)NC3(C(=O)O)CCCCCC3)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-14-12-20-22(13-14)16-8-6-15(7-9-16)17(23)21-19(18(24)25)10-4-2-3-5-11-19/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,23)(H,24,25)
InChIKeyKYEDVSMJALPFHH-UHFFFAOYSA-N
XLogP3.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 119619945
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65452192
(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 97324118
1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164274
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120539085
N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111484297
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069
N-[3-(aminomethyl)pentan-3-yl]-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119569798
N-(2-amino-2-ethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119641088
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid (CID 120538733) is 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid is Cc1cnn(-c2ccc(C(=O)NC3(C(=O)O)CCCCCC3)cc2)c1.
What is the InChIKey of 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is KYEDVSMJALPFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-12-20-22(13-14)16-8-6-15(7-9-16)17(23)21-19(18(24)25)10-4-2-3-5-11-19/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid?
1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120538733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).