2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid

C19H19N3O4 — CID 167879215

IUPAC2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1CNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C19H19N3O4/c1-11-16(12(2)22(21-11)10-17(23)24)9-20-19(26)15-8-7-13-5-3-4-6-14(13)18(15)25/h3-8,25H,9-10H2,1-2H3,(H,20,26)(H,23,24)
InChIKeyVFZUXUSYPPHATK-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid

2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid (PubChem CID 167879215) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
PubChem CID167879215
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1CNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C19H19N3O4/c1-11-16(12(2)22(21-11)10-17(23)24)9-20-19(26)15-8-7-13-5-3-4-6-14(13)18(15)25/h3-8,25H,9-10H2,1-2H3,(H,20,26)(H,23,24)
InChIKeyVFZUXUSYPPHATK-UHFFFAOYSA-N
XLogP2.37
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 166376747
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 24532851
1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34463265
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 41165001
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]-2-methylbenzamide
CID 8944660
2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 35524422
1-hydroxy-N-(1H-pyrazol-5-ylmethyl)naphthalene-2-carboxamide
CID 60975854
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-nitrobenzamide
CID 17499102
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 8943774

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid (CID 167879215) is 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid is Cc1nn(CC(=O)O)c(C)c1CNC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The InChIKey is VFZUXUSYPPHATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-16(12(2)22(21-11)10-17(23)24)9-20-19(26)15-8-7-13-5-3-4-6-14(13)18(15)25/h3-8,25H,9-10H2,1-2H3,(H,20,26)(H,23,24).
What are the key properties of 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid has a molecular weight of 353.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-hydroxynaphthalene-2-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 167879215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).