3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

C14H16FN3 — CID 54897195

IUPAC3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3cn[nH]c3)C2)cc1
InChIInChI=1S/C14H16FN3/c15-13-3-1-11(2-4-13)12-5-14(6-12)16-7-10-8-17-18-9-10/h1-4,8-9,12,14,16H,5-7H2,(H,17,18)
InChIKeyLHNWYPODDFUWGT-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.58
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 54897195) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID54897195
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3cn[nH]c3)C2)cc1
InChIInChI=1S/C14H16FN3/c15-13-3-1-11(2-4-13)12-5-14(6-12)16-7-10-8-17-18-9-10/h1-4,8-9,12,14,16H,5-7H2,(H,17,18)
InChIKeyLHNWYPODDFUWGT-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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Related Compounds

3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 54896470
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639
5-methyl-N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine
CID 79950424
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62537092
N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 61401388
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 103981696
3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305958
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 78952785
N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097606
cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
CID 130992265

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (CID 54897195) is 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is Fc1ccc(C2CC(NCc3cn[nH]c3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is LHNWYPODDFUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-13-3-1-11(2-4-13)12-5-14(6-12)16-7-10-8-17-18-9-10/h1-4,8-9,12,14,16H,5-7H2,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
3-(4-fluorophenyl)-N-(1H-pyrazol-4-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-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 54897195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).