1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C17H26F3N3O — CID 154834715

IUPAC1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C17H26F3N3O/c1-11(2)9-22(10-17(18,19)20)15(24)13-8-14(12-6-7-12)23(21-13)16(3,4)5/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyJPXOTWBGSYDMBZ-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.18
Rot. Bonds5

About 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 154834715) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID154834715
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC Name1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C17H26F3N3O/c1-11(2)9-22(10-17(18,19)20)15(24)13-8-14(12-6-7-12)23(21-13)16(3,4)5/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyJPXOTWBGSYDMBZ-UHFFFAOYSA-N
XLogP4.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 162668036
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5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
(3-Tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
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CID 51083920
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 56813930
1-{1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-azetidinyl}-2-methylpiperidine
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N-{2-[ethyl(methyl)amino]butyl}-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70730086
1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinecarbonitrile
CID 70735455
N,N-diethyl-1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinamine
CID 70762442
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 154834715) is 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is JPXOTWBGSYDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O/c1-11(2)9-22(10-17(18,19)20)15(24)13-8-14(12-6-7-12)23(21-13)16(3,4)5/h8,11-12H,6-7,9-10H2,1-5H3.
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 154834715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).