N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

C13H16FN3O — CID 43728933

IUPACN-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3O/c1-18-7-6-17-10-13(9-16-17)15-8-11-2-4-12(14)5-3-11/h2-5,9-10,15H,6-8H2,1H3
InChIKeyNPTAKGHNOCZYDS-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.28
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43728933) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43728933
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3O/c1-18-7-6-17-10-13(9-16-17)15-8-11-2-4-12(14)5-3-11/h2-5,9-10,15H,6-8H2,1H3
InChIKeyNPTAKGHNOCZYDS-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43728933) is N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is NPTAKGHNOCZYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-18-7-6-17-10-13(9-16-17)15-8-11-2-4-12(14)5-3-11/h2-5,9-10,15H,6-8H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 249.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43728933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).