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

C18H17ClF3N5O2S — CID 90047467

IUPACN-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C18H16F3N5O2S.ClH/c19-18(20,21)15-10-29-17(25-15)26-9-12(7-23-26)16(27)24-13-3-1-11(2-4-13)14-8-22-5-6-28-14;/h1-4,7,9-10,14,22H,5-6,8H2,(H,24,27);1H
InChIKeyVTHCVEGXODJPHZ-UHFFFAOYSA-N
MW459.88 g/mol
LogP3.68
Rot. Bonds4

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

N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 90047467) has the molecular formula C18H17ClF3N5O2S and a molecular weight of 459.88 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride
PubChem CID90047467
Molecular FormulaC18H17ClF3N5O2S
Molecular Weight459.88 g/mol
Exact Mass459.07
IUPAC NameN-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C18H16F3N5O2S.ClH/c19-18(20,21)15-10-29-17(25-15)26-9-12(7-23-26)16(27)24-13-3-1-11(2-4-13)14-8-22-5-6-28-14;/h1-4,7,9-10,14,22H,5-6,8H2,(H,24,27);1H
InChIKeyVTHCVEGXODJPHZ-UHFFFAOYSA-N
XLogP3.68
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.88
LogP ≤ 53.68
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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride (CID 90047467) is N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2nc(C(F)(F)F)cs2)c1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is VTHCVEGXODJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S.ClH/c19-18(20,21)15-10-29-17(25-15)26-9-12(7-23-26)16(27)24-13-3-1-11(2-4-13)14-8-22-5-6-28-14;/h1-4,7,9-10,14,22H,5-6,8H2,(H,24,27);1H.
What are the key properties of N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride?
N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 459.88 g/mol, XLogP of 3.68, 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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 90047467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).