1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride

C21H23ClN6O2 — CID 90047611

IUPAC1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2cc(C3CC3)ncn2)c1
InChIInChI=1S/C21H22N6O2.ClH/c28-21(26-17-5-3-15(4-6-17)19-11-22-7-8-29-19)16-10-25-27(12-16)20-9-18(14-1-2-14)23-13-24-20;/h3-6,9-10,12-14,19,22H,1-2,7-8,11H2,(H,26,28);1H
InChIKeyJLBVCIGAGMYIOE-UHFFFAOYSA-N
MW426.91 g/mol
LogP2.87
Rot. Bonds5

About 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride

1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 90047611) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID90047611
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2cc(C3CC3)ncn2)c1
InChIInChI=1S/C21H22N6O2.ClH/c28-21(26-17-5-3-15(4-6-17)19-11-22-7-8-29-19)16-10-25-27(12-16)20-9-18(14-1-2-14)23-13-24-20;/h3-6,9-10,12-14,19,22H,1-2,7-8,11H2,(H,26,28);1H
InChIKeyJLBVCIGAGMYIOE-UHFFFAOYSA-N
XLogP2.87
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride (CID 90047611) is 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2cc(C3CC3)ncn2)c1.
What is the InChIKey of 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is JLBVCIGAGMYIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2.ClH/c28-21(26-17-5-3-15(4-6-17)19-11-22-7-8-29-19)16-10-25-27(12-16)20-9-18(14-1-2-14)23-13-24-20;/h3-6,9-10,12-14,19,22H,1-2,7-8,11H2,(H,26,28);1H.
What are the key properties of 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride?
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 426.91 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 90047611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).