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

C17H22ClN5O2 — CID 67434543

IUPAC5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride
SMILESCC1(c2c(C(=O)O)cnn2C2CCN(c3ncccn3)CC2)CC1.Cl
InChIInChI=1S/C17H21N5O2.ClH/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);1H
InChIKeyWOFXIHVZXIWUAG-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.69
Rot. Bonds4

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

5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride (PubChem CID 67434543) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride
PubChem CID67434543
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride
SMILESCC1(c2c(C(=O)O)cnn2C2CCN(c3ncccn3)CC2)CC1.Cl
InChIInChI=1S/C17H21N5O2.ClH/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);1H
InChIKeyWOFXIHVZXIWUAG-UHFFFAOYSA-N
XLogP2.69
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride (CID 67434543) is 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride is CC1(c2c(C(=O)O)cnn2C2CCN(c3ncccn3)CC2)CC1.Cl.
What is the InChIKey of 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride?
The InChIKey is WOFXIHVZXIWUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.ClH/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);1H.
What are the key properties of 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride?
5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 2.69, 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;hydrochloride is sourced from PubChem (CID 67434543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).