4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C12H19F3N4O — CID 62075087

IUPAC4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C12H19F3N4O/c1-6(2)9-8(16)10(18-17-9)11(20)19(7(3)4)5-12(13,14)15/h6-7H,5,16H2,1-4H3,(H,17,18)
InChIKeyVNOGMFNINXRFGN-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.53
Rot. Bonds4

About 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62075087) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID62075087
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C12H19F3N4O/c1-6(2)9-8(16)10(18-17-9)11(20)19(7(3)4)5-12(13,14)15/h6-7H,5,16H2,1-4H3,(H,17,18)
InChIKeyVNOGMFNINXRFGN-UHFFFAOYSA-N
XLogP2.53
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 62075087) is 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(CC(F)(F)F)C(C)C)c1N.
What is the InChIKey of 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is VNOGMFNINXRFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-6(2)9-8(16)10(18-17-9)11(20)19(7(3)4)5-12(13,14)15/h6-7H,5,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).