3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

C13H17N5O3 — CID 19622220

IUPAC3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(CNC(=O)c2cnn(CCC(=O)O)c2)cn1
InChIInChI=1S/C13H17N5O3/c1-2-17-8-10(6-15-17)5-14-13(21)11-7-16-18(9-11)4-3-12(19)20/h6-9H,2-5H2,1H3,(H,14,21)(H,19,20)
InChIKeyDPCLKCFWIFBICM-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.50
Rot. Bonds7

About 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19622220) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19622220
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(CNC(=O)c2cnn(CCC(=O)O)c2)cn1
InChIInChI=1S/C13H17N5O3/c1-2-17-8-10(6-15-17)5-14-13(21)11-7-16-18(9-11)4-3-12(19)20/h6-9H,2-5H2,1H3,(H,14,21)(H,19,20)
InChIKeyDPCLKCFWIFBICM-UHFFFAOYSA-N
XLogP0.50
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic 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

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261948
3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471172
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
3-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471418
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097
3-[4-[[4-(diethylamino)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471097
4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290632

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19622220) is 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is CCn1cc(CNC(=O)c2cnn(CCC(=O)O)c2)cn1.
What is the InChIKey of 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is DPCLKCFWIFBICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-2-17-8-10(6-15-17)5-14-13(21)11-7-16-18(9-11)4-3-12(19)20/h6-9H,2-5H2,1H3,(H,14,21)(H,19,20).
What are the key properties of 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).