4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide

C8H12F2N4O — CID 70115769

IUPAC4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCC(C)(F)F
InChIInChI=1S/C8H12F2N4O/c1-8(9,10)4-12-7(15)6-5(11)3-13-14(6)2/h3H,4,11H2,1-2H3,(H,12,15)
InChIKeyYYNXHAAECFYSHM-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.39
Rot. Bonds3

About 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide (PubChem CID 70115769) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
PubChem CID70115769
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCC(C)(F)F
InChIInChI=1S/C8H12F2N4O/c1-8(9,10)4-12-7(15)6-5(11)3-13-14(6)2/h3H,4,11H2,1-2H3,(H,12,15)
InChIKeyYYNXHAAECFYSHM-UHFFFAOYSA-N
XLogP0.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621
4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 106179894
4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
CID 70115891
4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide
CID 65359620
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
4-amino-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-5-carboxamide
CID 114114711
4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide
CID 114188442
4-amino-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 65359551
4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide
CID 105413288
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
CID 132586606
4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide
CID 132586737

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide (CID 70115769) is 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)NCC(C)(F)F.
What is the InChIKey of 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is YYNXHAAECFYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O/c1-8(9,10)4-12-7(15)6-5(11)3-13-14(6)2/h3H,4,11H2,1-2H3,(H,12,15).
What are the key properties of 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 70115769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).