4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide

C9H14F2N4O — CID 115405291

IUPAC4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCC(F)F)c1N
InChIInChI=1S/C9H14F2N4O/c1-2-3-5-7(12)8(15-14-5)9(16)13-4-6(10)11/h6H,2-4,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYFJFVFFEZQMNFK-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.94
Rot. Bonds5

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

4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 115405291) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID115405291
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCC(F)F)c1N
InChIInChI=1S/C9H14F2N4O/c1-2-3-5-7(12)8(15-14-5)9(16)13-4-6(10)11/h6H,2-4,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYFJFVFFEZQMNFK-UHFFFAOYSA-N
XLogP0.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 279948
4-(dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 279949
1H-Pyrazole-3-carboxamide, 4-amino-5-methyl-N-(3-methylbutyl)-
CID 3061962
4-[[butyl(methyl)amino]diazenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 279950
4-[(dipropylamino)diazenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 282821
5-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 40053012
4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 68889748
5-ethyl-4-nitro-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 68959997
5-methyl-4-nitro-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 70472411
4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 70809846
4-(dimethylaminodiazenyl)-N,N,5-trimethyl-1H-pyrazole-3-carboxamide
CID 279937
4-amino-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 314148

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 115405291) is 4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCC(F)F)c1N.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is YFJFVFFEZQMNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-2-3-5-7(12)8(15-14-5)9(16)13-4-6(10)11/h6H,2-4,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 232.23 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 115405291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).