1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 120512689

IUPAC1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cnn2c1CCCC2
InChIInChI=1S/C15H21N3O3/c19-13(11-10-16-18-9-5-2-6-12(11)18)17-15(14(20)21)7-3-1-4-8-15/h10H,1-9H2,(H,17,19)(H,20,21)
InChIKeyXPGFZFFOYQBYKH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.74
Rot. Bonds3

About 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid

1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 120512689) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID120512689
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cnn2c1CCCC2
InChIInChI=1S/C15H21N3O3/c19-13(11-10-16-18-9-5-2-6-12(11)18)17-15(14(20)21)7-3-1-4-8-15/h10H,1-9H2,(H,17,19)(H,20,21)
InChIKeyXPGFZFFOYQBYKH-UHFFFAOYSA-N
XLogP1.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120530814
methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75520661
1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120512739
8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid
CID 120535565
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499
1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128
1-[[1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 70696001
1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
1-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120538619
2-(4-bromophenyl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)acetic acid
CID 120518139
2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
CID 120528669
2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 120537229

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 120512689) is 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1cnn2c1CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is XPGFZFFOYQBYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-13(11-10-16-18-9-5-2-6-12(11)18)17-15(14(20)21)7-3-1-4-8-15/h10H,1-9H2,(H,17,19)(H,20,21).
What are the key properties of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid?
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120512689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).