1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C20H17N3O4 — CID 144533440

IUPAC1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)Nc1ccn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)n1
InChIInChI=1S/C20H17N3O4/c24-18(25)20(10-11-20)15-5-1-13(2-6-15)14-3-7-16(8-4-14)23-12-9-17(22-23)21-19(26)27/h1-9,12H,10-11H2,(H,21,22)(H,24,25)(H,26,27)
InChIKeyWUKHLYQSJQZDCN-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.75
Rot. Bonds5

About 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 144533440) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID144533440
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)Nc1ccn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)n1
InChIInChI=1S/C20H17N3O4/c24-18(25)20(10-11-20)15-5-1-13(2-6-15)14-3-7-16(8-4-14)23-12-9-17(22-23)21-19(26)27/h1-9,12H,10-11H2,(H,21,22)(H,24,25)(H,26,27)
InChIKeyWUKHLYQSJQZDCN-UHFFFAOYSA-N
XLogP3.75
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 144533440) is 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is O=C(O)Nc1ccn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)n1.
What is the InChIKey of 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is WUKHLYQSJQZDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-18(25)20(10-11-20)15-5-1-13(2-6-15)14-3-7-16(8-4-14)23-12-9-17(22-23)21-19(26)27/h1-9,12H,10-11H2,(H,21,22)(H,24,25)(H,26,27).
What are the key properties of 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 363.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(carboxyamino)pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 144533440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).