5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C18H22F3N5O — CID 119512636

IUPAC5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCN2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N5O/c1-11(2)16-14(17(27)24-9-13-4-3-7-22-13)10-25-26(16)15-6-5-12(8-23-15)18(19,20)21/h5-6,8,10-11,13,22H,3-4,7,9H2,1-2H3,(H,24,27)
InChIKeySGRKITFODOKBGI-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.89
Rot. Bonds5

About 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 119512636) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID119512636
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCN2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N5O/c1-11(2)16-14(17(27)24-9-13-4-3-7-22-13)10-25-26(16)15-6-5-12(8-23-15)18(19,20)21/h5-6,8,10-11,13,22H,3-4,7,9H2,1-2H3,(H,24,27)
InChIKeySGRKITFODOKBGI-UHFFFAOYSA-N
XLogP2.89
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.89
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-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 119388462
N-[(2R)-2-(ethylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 120654935
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-(tert-butylamino)-2-oxoethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43070304
N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39045341
N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 124683176
N-(4-aminocyclohexyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119477098
N-(3-methyl-2-phenylbutyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 71685182
1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511365

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 119512636) is 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC2CCCN2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is SGRKITFODOKBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-11(2)16-14(17(27)24-9-13-4-3-7-22-13)10-25-26(16)15-6-5-12(8-23-15)18(19,20)21/h5-6,8,10-11,13,22H,3-4,7,9H2,1-2H3,(H,24,27).
What are the key properties of 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 119512636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).