N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

C14H18FN3 — CID 63961802

IUPACN-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccnn1C
InChIInChI=1S/C14H18FN3/c1-3-9-16-14(13-8-10-17-18(13)2)11-4-6-12(15)7-5-11/h4-8,10,14,16H,3,9H2,1-2H3
InChIKeyPYTVOTPEXRONQB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.65
Rot. Bonds5

About N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 63961802) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID63961802
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccnn1C
InChIInChI=1S/C14H18FN3/c1-3-9-16-14(13-8-10-17-18(13)2)11-4-6-12(15)7-5-11/h4-8,10,14,16H,3,9H2,1-2H3
InChIKeyPYTVOTPEXRONQB-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 79713103
N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105185341
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105164640
N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 115858376
N-[(6-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858572
N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858738
N-[(2-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858593
N-[(3-chloro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858459
N-[(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858444
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
CID 63962466

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 63961802) is N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1ccnn1C.
What is the InChIKey of N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is PYTVOTPEXRONQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-9-16-14(13-8-10-17-18(13)2)11-4-6-12(15)7-5-11/h4-8,10,14,16H,3,9H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63961802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).