2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid

C15H20N6O4 — CID 19500798

IUPAC2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCCn1cc(NC(=O)c2cnn(CC(=O)O)c2)c(C(=O)NC(C)C)n1
InChIInChI=1S/C15H20N6O4/c1-4-20-7-11(13(19-20)15(25)17-9(2)3)18-14(24)10-5-16-21(6-10)8-12(22)23/h5-7,9H,4,8H2,1-3H3,(H,17,25)(H,18,24)(H,22,23)
InChIKeyVPKBFXLFLRIDJX-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.57
Rot. Bonds7

About 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid

2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500798) has the molecular formula C15H20N6O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500798
Molecular FormulaC15H20N6O4
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCCn1cc(NC(=O)c2cnn(CC(=O)O)c2)c(C(=O)NC(C)C)n1
InChIInChI=1S/C15H20N6O4/c1-4-20-7-11(13(19-20)15(25)17-9(2)3)18-14(24)10-5-16-21(6-10)8-12(22)23/h5-7,9H,4,8H2,1-3H3,(H,17,25)(H,18,24)(H,22,23)
InChIKeyVPKBFXLFLRIDJX-UHFFFAOYSA-N
XLogP0.57
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471418
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504722
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19525036
2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500803
1-[3-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483194
propan-2-yl 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404536
ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylate
CID 79970426
2-[4-[(2,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500463
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500472

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19500798) is 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is CCn1cc(NC(=O)c2cnn(CC(=O)O)c2)c(C(=O)NC(C)C)n1.
What is the InChIKey of 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is VPKBFXLFLRIDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O4/c1-4-20-7-11(13(19-20)15(25)17-9(2)3)18-14(24)10-5-16-21(6-10)8-12(22)23/h5-7,9H,4,8H2,1-3H3,(H,17,25)(H,18,24)(H,22,23).
What are the key properties of 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 348.36 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).