4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid

C19H25N3O3 — CID 122569219

IUPAC4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1ncc(-c2ccccc2C(=O)N(C(C)C)C(C)C)c1C(=O)O
InChIInChI=1S/C19H25N3O3/c1-6-21-17(19(24)25)16(11-20-21)14-9-7-8-10-15(14)18(23)22(12(2)3)13(4)5/h7-13H,6H2,1-5H3,(H,24,25)
InChIKeyUPNGJWOCXFGCIU-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.53
Rot. Bonds6

About 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid

4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid (PubChem CID 122569219) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid
PubChem CID122569219
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1ncc(-c2ccccc2C(=O)N(C(C)C)C(C)C)c1C(=O)O
InChIInChI=1S/C19H25N3O3/c1-6-21-17(19(24)25)16(11-20-21)14-9-7-8-10-15(14)18(23)22(12(2)3)13(4)5/h7-13H,6H2,1-5H3,(H,24,25)
InChIKeyUPNGJWOCXFGCIU-UHFFFAOYSA-N
XLogP3.53
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-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 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid (CID 122569219) is 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid is CCn1ncc(-c2ccccc2C(=O)N(C(C)C)C(C)C)c1C(=O)O.
What is the InChIKey of 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid?
The InChIKey is UPNGJWOCXFGCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-6-21-17(19(24)25)16(11-20-21)14-9-7-8-10-15(14)18(23)22(12(2)3)13(4)5/h7-13H,6H2,1-5H3,(H,24,25).
What are the key properties of 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid?
4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)carbamoyl]phenyl]-1-ethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 122569219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).