3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine

C14H16F3N3O — CID 43547210

IUPAC3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-8(18-13-9(2)19-20-10(13)3)11-4-6-12(7-5-11)21-14(15,16)17/h4-8,18H,1-3H3,(H,19,20)
InChIKeyACBCHJMDZBCUGY-UHFFFAOYSA-N
MW299.30 g/mol
LogP4.10
Rot. Bonds4

About 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine

3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine (PubChem CID 43547210) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
PubChem CID43547210
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-8(18-13-9(2)19-20-10(13)3)11-4-6-12(7-5-11)21-14(15,16)17/h4-8,18H,1-3H3,(H,19,20)
InChIKeyACBCHJMDZBCUGY-UHFFFAOYSA-N
XLogP4.10
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
3-(4-Methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28750454
2-Isopropyl-3-(4-trifluoromethoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 59752538
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601318
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(trifluoromethoxy)benzyl)acetamide
CID 38815595
2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 70758011
N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 71914760
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 71940321
N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 42686746
N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42687575
N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42687577

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine (CID 43547210) is 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine?
The InChIKey is ACBCHJMDZBCUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-8(18-13-9(2)19-20-10(13)3)11-4-6-12(7-5-11)21-14(15,16)17/h4-8,18H,1-3H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine?
3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine has a molecular weight of 299.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43547210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).