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

C12H14FN3 — CID 141210636

IUPAC1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
SMILESCCn1ccc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3/c1-2-16-8-7-12(15-16)14-9-10-3-5-11(13)6-4-10/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyJPSCQKGVAXZHGV-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.65
Rot. Bonds4

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

1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine (PubChem CID 141210636) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
PubChem CID141210636
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
SMILESCCn1ccc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3/c1-2-16-8-7-12(15-16)14-9-10-3-5-11(13)6-4-10/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyJPSCQKGVAXZHGV-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine (CID 141210636) is 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine is CCn1ccc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The InChIKey is JPSCQKGVAXZHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-2-16-8-7-12(15-16)14-9-10-3-5-11(13)6-4-10/h3-8H,2,9H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine has a molecular weight of 219.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 141210636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).