N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride

C19H18ClF3N6O2 — CID 71087819

IUPACN-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ncc(C(F)(F)F)cn2)n1
InChIInChI=1S/C19H17F3N6O2.ClH/c20-19(21,22)13-9-24-18(25-10-13)28-7-5-15(27-28)17(29)26-14-3-1-12(2-4-14)16-11-23-6-8-30-16;/h1-5,7,9-10,16,23H,6,8,11H2,(H,26,29);1H
InChIKeyBVQKTFYFONOOEN-UHFFFAOYSA-N
MW454.84 g/mol
LogP3.02
Rot. Bonds4

About N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride

N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 71087819) has the molecular formula C19H18ClF3N6O2 and a molecular weight of 454.84 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
PubChem CID71087819
Molecular FormulaC19H18ClF3N6O2
Molecular Weight454.84 g/mol
Exact Mass454.11
IUPAC NameN-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ncc(C(F)(F)F)cn2)n1
InChIInChI=1S/C19H17F3N6O2.ClH/c20-19(21,22)13-9-24-18(25-10-13)28-7-5-15(27-28)17(29)26-14-3-1-12(2-4-14)16-11-23-6-8-30-16;/h1-5,7,9-10,16,23H,6,8,11H2,(H,26,29);1H
InChIKeyBVQKTFYFONOOEN-UHFFFAOYSA-N
XLogP3.02
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.84
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride (CID 71087819) is N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ncc(C(F)(F)F)cn2)n1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is BVQKTFYFONOOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2.ClH/c20-19(21,22)13-9-24-18(25-10-13)28-7-5-15(27-28)17(29)26-14-3-1-12(2-4-14)16-11-23-6-8-30-16;/h1-5,7,9-10,16,23H,6,8,11H2,(H,26,29);1H.
What are the key properties of N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride?
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 454.84 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71087819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).