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

C15H19ClFN3 — CID 107456603

IUPACN-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine
SMILESCc1nn(Cc2cc(CNC(C)C)ccc2F)cc1Cl
InChIInChI=1S/C15H19ClFN3/c1-10(2)18-7-12-4-5-15(17)13(6-12)8-20-9-14(16)11(3)19-20/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyLEDDBVQHUSPQTI-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.53
Rot. Bonds5

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

N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine (PubChem CID 107456603) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine
PubChem CID107456603
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC NameN-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine
SMILESCc1nn(Cc2cc(CNC(C)C)ccc2F)cc1Cl
InChIInChI=1S/C15H19ClFN3/c1-10(2)18-7-12-4-5-15(17)13(6-12)8-20-9-14(16)11(3)19-20/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyLEDDBVQHUSPQTI-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107456506
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050335
[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
CID 64766127
N-[[4-fluoro-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]propan-2-amine
CID 107454933
N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107453780
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041569
[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113900
N-[[4-fluoro-3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-2-amine
CID 107453794
N-[[1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 107888073
N-[[1-[(4-chloro-3-fluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 107889086

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine (CID 107456603) is N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine is Cc1nn(Cc2cc(CNC(C)C)ccc2F)cc1Cl.
What is the InChIKey of N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine?
The InChIKey is LEDDBVQHUSPQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-10(2)18-7-12-4-5-15(17)13(6-12)8-20-9-14(16)11(3)19-20/h4-6,9-10,18H,7-8H2,1-3H3.
What are the key properties of N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine?
N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine has a molecular weight of 295.79 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 107456603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).