2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C16H19N7O3 — CID 19504318

IUPAC2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(Cn2cc(NC(=O)c3ccn(C(C)C(=O)O)n3)cn2)cn1
InChIInChI=1S/C16H19N7O3/c1-3-21-8-12(6-17-21)9-22-10-13(7-18-22)19-15(24)14-4-5-23(20-14)11(2)16(25)26/h4-8,10-11H,3,9H2,1-2H3,(H,19,24)(H,25,26)
InChIKeyWLECUMQYDXFRMZ-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.24
Rot. Bonds7

About 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504318) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504318
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(Cn2cc(NC(=O)c3ccn(C(C)C(=O)O)n3)cn2)cn1
InChIInChI=1S/C16H19N7O3/c1-3-21-8-12(6-17-21)9-22-10-13(7-18-22)19-15(24)14-4-5-23(20-14)11(2)16(25)26/h4-8,10-11H,3,9H2,1-2H3,(H,19,24)(H,25,26)
InChIKeyWLECUMQYDXFRMZ-UHFFFAOYSA-N
XLogP1.24
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504401
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273300
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
1-[(2,4-dimethylphenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275205
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623498
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265051
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504318) is 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CCn1cc(Cn2cc(NC(=O)c3ccn(C(C)C(=O)O)n3)cn2)cn1.
What is the InChIKey of 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is WLECUMQYDXFRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-3-21-8-12(6-17-21)9-22-10-13(7-18-22)19-15(24)14-4-5-23(20-14)11(2)16(25)26/h4-8,10-11H,3,9H2,1-2H3,(H,19,24)(H,25,26).
What are the key properties of 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 357.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).