1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine

C13H16FN3 — CID 114251809

IUPAC1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine
SMILESCCn1ccc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN3/c1-3-17-9-8-13(16-17)15-10(2)11-4-6-12(14)7-5-11/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyBLYYCYFCNAPZTN-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.22
Rot. Bonds4

About 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine

1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine (PubChem CID 114251809) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine
PubChem CID114251809
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine
SMILESCCn1ccc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN3/c1-3-17-9-8-13(16-17)15-10(2)11-4-6-12(14)7-5-11/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyBLYYCYFCNAPZTN-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
CID 130496141
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 141210636
2-[3-[1-(4-cyanophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 75446821
1-ethyl-N-(1-phenylpropan-2-yl)pyrazol-3-amine
CID 114251813
N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine
CID 71972984
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
1-(1-ethylpyrazol-3-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17282048
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80801786
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine (CID 114251809) is 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine is CCn1ccc(NC(C)c2ccc(F)cc2)n1.
What is the InChIKey of 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine?
The InChIKey is BLYYCYFCNAPZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-17-9-8-13(16-17)15-10(2)11-4-6-12(14)7-5-11/h4-10H,3H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine?
1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine has a molecular weight of 233.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 114251809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).