N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride

C17H23ClF3N5O — CID 120831966

IUPACN-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C.Cl
InChIInChI=1S/C17H22F3N5O.ClH/c1-10(2)15-13(16(26)23-7-11(3)21-4)9-24-25(15)14-6-5-12(8-22-14)17(18,19)20;/h5-6,8-11,21H,7H2,1-4H3,(H,23,26);1H
InChIKeyVRYFFWULZRRBHM-UHFFFAOYSA-N
MW405.85 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride

N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 120831966) has the molecular formula C17H23ClF3N5O and a molecular weight of 405.85 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID120831966
Molecular FormulaC17H23ClF3N5O
Molecular Weight405.85 g/mol
Exact Mass405.15
IUPAC NameN-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C.Cl
InChIInChI=1S/C17H22F3N5O.ClH/c1-10(2)15-13(16(26)23-7-11(3)21-4)9-24-25(15)14-6-5-12(8-22-14)17(18,19)20;/h5-6,8-11,21H,7H2,1-4H3,(H,23,26);1H
InChIKeyVRYFFWULZRRBHM-UHFFFAOYSA-N
XLogP3.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041621
N-[(2R)-2-(ethylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 120654935
N-(3-methyl-2-phenylbutyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 71685182
N-butyl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46429671
N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46605564
N-(3-aminobutyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119497605
N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55721330
N-[2-(tert-butylamino)-2-oxoethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43070304
5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119512636
(2R)-2-[[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119369745
N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39045341
5-propan-2-yl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041012

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride (CID 120831966) is N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is VRYFFWULZRRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O.ClH/c1-10(2)15-13(16(26)23-7-11(3)21-4)9-24-25(15)14-6-5-12(8-22-14)17(18,19)20;/h5-6,8-11,21H,7H2,1-4H3,(H,23,26);1H.
What are the key properties of N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 405.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120831966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).