4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid

C17H21N3O4 — CID 119204212

IUPAC4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C17H21N3O4/c1-17(2,10-9-14(21)22)18-16(23)15-13(24-3)11-20(19-15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyJCRCQGRSVVGEMK-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.25
Rot. Bonds7

About 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid

4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119204212) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119204212
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C17H21N3O4/c1-17(2,10-9-14(21)22)18-16(23)15-13(24-3)11-20(19-15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyJCRCQGRSVVGEMK-UHFFFAOYSA-N
XLogP2.25
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523472
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
CID 62041534
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 47038566
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 46515773
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid (CID 119204212) is 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid is COc1cn(-c2ccccc2)nc1C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is JCRCQGRSVVGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-17(2,10-9-14(21)22)18-16(23)15-13(24-3)11-20(19-15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 331.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119204212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).