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

C14H18FN3O — CID 43547212

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCOc1ccc(C(C)Nc2c(C)n[nH]c2C)cc1F
InChIInChI=1S/C14H18FN3O/c1-8(16-14-9(2)17-18-10(14)3)11-5-6-13(19-4)12(15)7-11/h5-8,16H,1-4H3,(H,17,18)
InChIKeyDKNOPIHAFDZLJQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.35
Rot. Bonds4

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

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547212) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547212
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCOc1ccc(C(C)Nc2c(C)n[nH]c2C)cc1F
InChIInChI=1S/C14H18FN3O/c1-8(16-14-9(2)17-18-10(14)3)11-5-6-13(19-4)12(15)7-11/h5-8,16H,1-4H3,(H,17,18)
InChIKeyDKNOPIHAFDZLJQ-UHFFFAOYSA-N
XLogP3.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.35
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
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
3-(4-Methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28750454
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601318
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601341
N-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 16191304
N,N-diethyl-1-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-amine
CID 16190014
1-(1,3-dimethyl-1H-pyrazol-4-yl)-N-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16192352
5-Ethyl-3-(4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384178
2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 70758011

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547212) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is COc1ccc(C(C)Nc2c(C)n[nH]c2C)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is DKNOPIHAFDZLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-8(16-14-9(2)17-18-10(14)3)11-5-6-13(19-4)12(15)7-11/h5-8,16H,1-4H3,(H,17,18).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 263.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).