trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid

C17H19N3O3 — CID 138038240

IUPACtrans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
SMILESCCCc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)n[nH]1
InChIInChI=1S/C17H19N3O3/c1-2-3-12-8-15(20-19-12)16(21)18-11-6-4-10(5-7-11)13-9-14(13)17(22)23/h4-8,13-14H,2-3,9H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t13-,14+/m0/s1
InChIKeyNQIFODZSEVLQQL-UONOGXRCSA-N
MW313.36 g/mol
LogP2.80
Rot. Bonds6

About trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 138038240) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
PubChem CID138038240
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nametrans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
SMILESCCCc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)n[nH]1
InChIInChI=1S/C17H19N3O3/c1-2-3-12-8-15(20-19-12)16(21)18-11-6-4-10(5-7-11)13-9-14(13)17(22)23/h4-8,13-14H,2-3,9H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t13-,14+/m0/s1
InChIKeyNQIFODZSEVLQQL-UONOGXRCSA-N
XLogP2.80
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid (CID 138038240) is trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid is CCCc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)n[nH]1.
What is the InChIKey of trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is NQIFODZSEVLQQL-UONOGXRCSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-3-12-8-15(20-19-12)16(21)18-11-6-4-10(5-7-11)13-9-14(13)17(22)23/h4-8,13-14H,2-3,9H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 138038240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).