2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid

C16H19N7O3 — CID 19500803

IUPAC2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCCn1cc(Cn2cc(NC(=O)c3cnn(CC(=O)O)c3)cn2)c(C)n1
InChIInChI=1S/C16H19N7O3/c1-3-21-7-13(11(2)20-21)8-22-9-14(5-18-22)19-16(26)12-4-17-23(6-12)10-15(24)25/h4-7,9H,3,8,10H2,1-2H3,(H,19,26)(H,24,25)
InChIKeyXLDGGMVAXGDWKC-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.99
Rot. Bonds7

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

2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500803) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500803
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCCn1cc(Cn2cc(NC(=O)c3cnn(CC(=O)O)c3)cn2)c(C)n1
InChIInChI=1S/C16H19N7O3/c1-3-21-7-13(11(2)20-21)8-22-9-14(5-18-22)19-16(26)12-4-17-23(6-12)10-15(24)25/h4-7,9H,3,8,10H2,1-2H3,(H,19,26)(H,24,25)
InChIKeyXLDGGMVAXGDWKC-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500802
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 138002030
2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500798
2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61019180
2-[4-[(3,5-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500464
2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019164

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19500803) is 2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is CCn1cc(Cn2cc(NC(=O)c3cnn(CC(=O)O)c3)cn2)c(C)n1.
What is the InChIKey of 2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is XLDGGMVAXGDWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-3-21-7-13(11(2)20-21)8-22-9-14(5-18-22)19-16(26)12-4-17-23(6-12)10-15(24)25/h4-7,9H,3,8,10H2,1-2H3,(H,19,26)(H,24,25).
What are the key properties of 2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 357.37 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).