3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine

C14H15F2N3 — CID 158923827

IUPAC3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine
SMILESCC1(c2ccc(-n3cc(N)c(C(F)F)n3)cc2)CC1
InChIInChI=1S/C14H15F2N3/c1-14(6-7-14)9-2-4-10(5-3-9)19-8-11(17)12(18-19)13(15)16/h2-5,8,13H,6-7,17H2,1H3
InChIKeyCWUHNGTYUFOJEW-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.44
Rot. Bonds3

About 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine

3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine (PubChem CID 158923827) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine
PubChem CID158923827
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine
SMILESCC1(c2ccc(-n3cc(N)c(C(F)F)n3)cc2)CC1
InChIInChI=1S/C14H15F2N3/c1-14(6-7-14)9-2-4-10(5-3-9)19-8-11(17)12(18-19)13(15)16/h2-5,8,13H,6-7,17H2,1H3
InChIKeyCWUHNGTYUFOJEW-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
1-p-Tolyl-1H-pyrazole
CID 809797
4-Pyrazol-1-YL-benzylamine
CID 2776483
2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)aniline
CID 7064033
4-(1-Methyl-1H-pyrazol-3-yl)-phenylamine
CID 18526375
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
N-methyl-2-(3-phenyl-1H-pyrazol-1-yl)aniline
CID 869424
N-[[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-N',N'-dimethyl-ethane-1,2-diamine
CID 16187218
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}cyclopropanamine
CID 16190090
(1R)-1-phenyl-N-((1R)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)ethyl)ethanamine
CID 44543086

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine (CID 158923827) is 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine is CC1(c2ccc(-n3cc(N)c(C(F)F)n3)cc2)CC1.
What is the InChIKey of 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine?
The InChIKey is CWUHNGTYUFOJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-14(6-7-14)9-2-4-10(5-3-9)19-8-11(17)12(18-19)13(15)16/h2-5,8,13H,6-7,17H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine?
3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[4-(1-methylcyclopropyl)phenyl]pyrazol-4-amine is sourced from PubChem (CID 158923827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).