3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine

C14H16FN3 — CID 61285083

IUPAC3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
SMILESFc1ccccc1C1CC(NCc2ccn[nH]2)C1
InChIInChI=1S/C14H16FN3/c15-14-4-2-1-3-13(14)10-7-12(8-10)16-9-11-5-6-17-18-11/h1-6,10,12,16H,7-9H2,(H,17,18)
InChIKeyPINICZVIMKUWPB-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine

3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine (PubChem CID 61285083) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
PubChem CID61285083
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
SMILESFc1ccccc1C1CC(NCc2ccn[nH]2)C1
InChIInChI=1S/C14H16FN3/c15-14-4-2-1-3-13(14)10-7-12(8-10)16-9-11-5-6-17-18-11/h1-6,10,12,16H,7-9H2,(H,17,18)
InChIKeyPINICZVIMKUWPB-UHFFFAOYSA-N
XLogP2.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine (CID 61285083) is 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine is Fc1ccccc1C1CC(NCc2ccn[nH]2)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine?
The InChIKey is PINICZVIMKUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-14-4-2-1-3-13(14)10-7-12(8-10)16-9-11-5-6-17-18-11/h1-6,10,12,16H,7-9H2,(H,17,18).
What are the key properties of 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine?
3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine has a molecular weight of 245.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 61285083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).