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

C15H18FN3O — CID 43745482

IUPACN-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESFc1ccc(CNc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-5-3-12(4-6-13)8-17-14-9-18-19(10-14)11-15-2-1-7-20-15/h3-6,9-10,15,17H,1-2,7-8,11H2
InChIKeyNEPSCXPKKCEIJB-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.81
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43745482) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43745482
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESFc1ccc(CNc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-5-3-12(4-6-13)8-17-14-9-18-19(10-14)11-15-2-1-7-20-15/h3-6,9-10,15,17H,1-2,7-8,11H2
InChIKeyNEPSCXPKKCEIJB-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
1-((3-fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 6483867
(4-fluorobenzyl)[(1-isopropyl-1H-pyrazol-4-yl)methyl](tetrahydrofuran-2-ylmethyl)amine
CID 46998990
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(o-fluorophenyl)acetamide
CID 97428150
N-[(2-fluorophenyl)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124349950
3-benzyl-1-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}urea
CID 97428194
1-[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]-N-(tetrahydro-2-furanylmethyl)methanamine
CID 45244149
N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962827
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 53568133
n-(4-Fluorobenzyl)-1-propyl-1h-pyrazol-4-amine
CID 71846203
2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 110248582

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43745482) is N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is Fc1ccc(CNc2cnn(CC3CCCO3)c2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is NEPSCXPKKCEIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-5-3-12(4-6-13)8-17-14-9-18-19(10-14)11-15-2-1-7-20-15/h3-6,9-10,15,17H,1-2,7-8,11H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.81, 5 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-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).