4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid

C16H17N3O4 — CID 136556389

IUPAC4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2cnn(CC3CC3)c2)ccc1C(=O)O
InChIInChI=1S/C16H17N3O4/c1-23-14-6-12(4-5-13(14)16(21)22)18-15(20)11-7-17-19(9-11)8-10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,20)(H,21,22)
InChIKeyKEQUFOWJSMPYLX-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.25
Rot. Bonds6

About 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid

4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid (PubChem CID 136556389) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid
PubChem CID136556389
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2cnn(CC3CC3)c2)ccc1C(=O)O
InChIInChI=1S/C16H17N3O4/c1-23-14-6-12(4-5-13(14)16(21)22)18-15(20)11-7-17-19(9-11)8-10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,20)(H,21,22)
InChIKeyKEQUFOWJSMPYLX-UHFFFAOYSA-N
XLogP2.25
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 146136886
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107209471
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
CID 107208684
1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene
CID 144808006
4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 136546905
2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107208827

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid (CID 136556389) is 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid is COc1cc(NC(=O)c2cnn(CC3CC3)c2)ccc1C(=O)O.
What is the InChIKey of 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid?
The InChIKey is KEQUFOWJSMPYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-23-14-6-12(4-5-13(14)16(21)22)18-15(20)11-7-17-19(9-11)8-10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid?
4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]-2-methoxybenzoic acid is sourced from PubChem (CID 136556389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).