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

C12H19F3N4O — CID 62075939

IUPAC4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C12H19F3N4O/c1-4-5-8-9(16)10(18-17-8)11(20)19(7(2)3)6-12(13,14)15/h7H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyTVUBQNLGDDDERZ-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.36
Rot. Bonds5

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

4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62075939) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID62075939
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C12H19F3N4O/c1-4-5-8-9(16)10(18-17-8)11(20)19(7(2)3)6-12(13,14)15/h7H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyTVUBQNLGDDDERZ-UHFFFAOYSA-N
XLogP2.36
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 62075939) is 4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)N(CC(F)(F)F)C(C)C)c1N.
What is the InChIKey of 4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is TVUBQNLGDDDERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-4-5-8-9(16)10(18-17-8)11(20)19(7(2)3)6-12(13,14)15/h7H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).