4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid

C14H15N3O2 — CID 110540115

IUPAC4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid
SMILESCN1CCc2[nH]nc(-c3ccc(C(=O)O)cc3)c2C1
InChIInChI=1S/C14H15N3O2/c1-17-7-6-12-11(8-17)13(16-15-12)9-2-4-10(5-3-9)14(18)19/h2-5H,6-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyCNMIJVXNMIVBGT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.76
Rot. Bonds2

About 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid

4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid (PubChem CID 110540115) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid
PubChem CID110540115
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid
SMILESCN1CCc2[nH]nc(-c3ccc(C(=O)O)cc3)c2C1
InChIInChI=1S/C14H15N3O2/c1-17-7-6-12-11(8-17)13(16-15-12)9-2-4-10(5-3-9)14(18)19/h2-5H,6-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyCNMIJVXNMIVBGT-UHFFFAOYSA-N
XLogP1.76
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585641
4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540362
2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 136781793
5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536009
4-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid
CID 11150934
(2S)-2-amino-3,3-dimethyl-1-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 56747347
[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 53185513
2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide
CID 56745125
3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538538
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
3-(4-tert-butylphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539351
(2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 95194367

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid (CID 110540115) is 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid is CN1CCc2[nH]nc(-c3ccc(C(=O)O)cc3)c2C1.
What is the InChIKey of 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid?
The InChIKey is CNMIJVXNMIVBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17-7-6-12-11(8-17)13(16-15-12)9-2-4-10(5-3-9)14(18)19/h2-5H,6-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid?
4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 110540115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).