1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid

C20H22N4O4 — CID 166224809

IUPAC1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(NC(=O)C3CCCN(C(=O)C4CC4)C3)cc2)n1
InChIInChI=1S/C20H22N4O4/c25-18(14-2-1-10-23(12-14)19(26)13-3-4-13)21-15-5-7-16(8-6-15)24-11-9-17(22-24)20(27)28/h5-9,11,13-14H,1-4,10,12H2,(H,21,25)(H,27,28)
InChIKeyWHFFRSVOTMHYGB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.16
Rot. Bonds5

About 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid

1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 166224809) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
PubChem CID166224809
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccc(NC(=O)C3CCCN(C(=O)C4CC4)C3)cc2)n1
InChIInChI=1S/C20H22N4O4/c25-18(14-2-1-10-23(12-14)19(26)13-3-4-13)21-15-5-7-16(8-6-15)24-11-9-17(22-24)20(27)28/h5-9,11,13-14H,1-4,10,12H2,(H,21,25)(H,27,28)
InChIKeyWHFFRSVOTMHYGB-UHFFFAOYSA-N
XLogP2.16
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 167986303
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 56507150
2-[[2-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224466
(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94207901
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94197165
1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 131914801
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid (CID 166224809) is 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2ccc(NC(=O)C3CCCN(C(=O)C4CC4)C3)cc2)n1.
What is the InChIKey of 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is WHFFRSVOTMHYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-18(14-2-1-10-23(12-14)19(26)13-3-4-13)21-15-5-7-16(8-6-15)24-11-9-17(22-24)20(27)28/h5-9,11,13-14H,1-4,10,12H2,(H,21,25)(H,27,28).
What are the key properties of 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 166224809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).