5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid

C17H21N5O2 — CID 67434544

IUPAC5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid
SMILESCC1(c2c(C(=O)O)cnn2C2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C17H21N5O2/c1-17(5-6-17)14-13(15(23)24)11-20-22(14)12-3-9-21(10-4-12)16-18-7-2-8-19-16/h2,7-8,11-12H,3-6,9-10H2,1H3,(H,23,24)
InChIKeyNIRBBNUHECTSBV-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.26
Rot. Bonds4

About 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid

5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid (PubChem CID 67434544) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid
PubChem CID67434544
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid
SMILESCC1(c2c(C(=O)O)cnn2C2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C17H21N5O2/c1-17(5-6-17)14-13(15(23)24)11-20-22(14)12-3-9-21(10-4-12)16-18-7-2-8-19-16/h2,7-8,11-12H,3-6,9-10H2,1H3,(H,23,24)
InChIKeyNIRBBNUHECTSBV-UHFFFAOYSA-N
XLogP2.26
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid
CID 62716926
N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 51103793
3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63139406
1-cyclobutyl-5-methoxypyrazole-4-carboxylic acid
CID 115068986
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 129398475
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
CID 62216311
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 111561597
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74235155

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid (CID 67434544) is 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid is CC1(c2c(C(=O)O)cnn2C2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid?
The InChIKey is NIRBBNUHECTSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-17(5-6-17)14-13(15(23)24)11-20-22(14)12-3-9-21(10-4-12)16-18-7-2-8-19-16/h2,7-8,11-12H,3-6,9-10H2,1H3,(H,23,24).
What are the key properties of 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid?
5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid has a molecular weight of 327.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 67434544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).