7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C18H18N4O2 — CID 15958152

IUPAC7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccncc3)cnc12
InChIInChI=1S/C18H18N4O2/c23-18(24)15-11-21-22-16(13-4-2-1-3-5-13)14(10-20-17(15)22)12-6-8-19-9-7-12/h6-11,13H,1-5H2,(H,23,24)
InChIKeyDWIOCQCMWSSKPR-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.54
Rot. Bonds3

About 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958152) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958152
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccncc3)cnc12
InChIInChI=1S/C18H18N4O2/c23-18(24)15-11-21-22-16(13-4-2-1-3-5-13)14(10-20-17(15)22)12-6-8-19-9-7-12/h6-11,13H,1-5H2,(H,23,24)
InChIKeyDWIOCQCMWSSKPR-UHFFFAOYSA-N
XLogP3.54
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ocinaplon
CID 216456
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
CU-CPT-8m
CID 15042086
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
2-(4-Chlorophenyl)-7-methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5308312
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
(E)-3-[1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoic acid
CID 44577780
1-(4-(7-Amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl)-3-(((2,4-dimethylphenyl)(methoxy)phosphoryl)amino)-1H-pyrazole-4-carboxylic acid
CID 135905448

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958152) is 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C3CCCCC3)c(-c3ccncc3)cnc12.
What is the InChIKey of 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is DWIOCQCMWSSKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(24)15-11-21-22-16(13-4-2-1-3-5-13)14(10-20-17(15)22)12-6-8-19-9-7-12/h6-11,13H,1-5H2,(H,23,24).
What are the key properties of 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).