4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid

C18H16N4O3 — CID 108793390

IUPAC4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
SMILESCc1c(C(=O)NCc2ccc(C(=O)O)cc2)cnn1-c1ccccn1
InChIInChI=1S/C18H16N4O3/c1-12-15(11-21-22(12)16-4-2-3-9-19-16)17(23)20-10-13-5-7-14(8-6-13)18(24)25/h2-9,11H,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyDCUFIDIHECBFNX-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.20
Rot. Bonds5

About 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid

4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid (PubChem CID 108793390) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
PubChem CID108793390
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
SMILESCc1c(C(=O)NCc2ccc(C(=O)O)cc2)cnn1-c1ccccn1
InChIInChI=1S/C18H16N4O3/c1-12-15(11-21-22(12)16-4-2-3-9-19-16)17(23)20-10-13-5-7-14(8-6-13)18(24)25/h2-9,11H,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyDCUFIDIHECBFNX-UHFFFAOYSA-N
XLogP2.20
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108745436
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
CID 108793421
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 157015006
5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429
5-propan-2-yl-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46430520

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid (CID 108793390) is 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid is Cc1c(C(=O)NCc2ccc(C(=O)O)cc2)cnn1-c1ccccn1.
What is the InChIKey of 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid?
The InChIKey is DCUFIDIHECBFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12-15(11-21-22(12)16-4-2-3-9-19-16)17(23)20-10-13-5-7-14(8-6-13)18(24)25/h2-9,11H,10H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid?
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid has a molecular weight of 336.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 108793390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).