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

C9H13F3N4O — CID 64523675

IUPAC3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H13F3N4O/c1-5(2)16(4-9(10,11)12)8(17)6-3-7(13)15-14-6/h3,5H,4H2,1-2H3,(H3,13,14,15)
InChIKeyYRTGNDCVDCIVOL-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.40
Rot. Bonds3

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

3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64523675) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID64523675
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H13F3N4O/c1-5(2)16(4-9(10,11)12)8(17)6-3-7(13)15-14-6/h3,5H,4H2,1-2H3,(H3,13,14,15)
InChIKeyYRTGNDCVDCIVOL-UHFFFAOYSA-N
XLogP1.40
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 64523675) is 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YRTGNDCVDCIVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5(2)16(4-9(10,11)12)8(17)6-3-7(13)15-14-6/h3,5H,4H2,1-2H3,(H3,13,14,15).
What are the key properties of 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).