1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine

C14H18FN3 — CID 61067726

IUPAC1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]ncc1CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-10(7-12-3-5-14(15)6-4-12)16-8-13-9-17-18-11(13)2/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyHDDORBWUZCBVKP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine

1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 61067726) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID61067726
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]ncc1CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-10(7-12-3-5-14(15)6-4-12)16-8-13-9-17-18-11(13)2/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyHDDORBWUZCBVKP-UHFFFAOYSA-N
XLogP2.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576
(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 95299596
(2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95582635
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
(2S)-1-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 93264764
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 115600103
1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 114829427
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
(1R)-1-(3-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81369930
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 106862630
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 54896321

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 61067726) is 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is Cc1[nH]ncc1CNC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is HDDORBWUZCBVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10(7-12-3-5-14(15)6-4-12)16-8-13-9-17-18-11(13)2/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 61067726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).