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

C14H18ClN3 — CID 79484639

IUPACN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-10(2)16-8-12-9-18(3)17-14(12)11-5-4-6-13(15)7-11/h4-7,9-10,16H,8H2,1-3H3
InChIKeyMYQUSEFSOXHMPU-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.24
Rot. Bonds4

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

N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 79484639) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID79484639
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-10(2)16-8-12-9-18(3)17-14(12)11-5-4-6-13(15)7-11/h4-7,9-10,16H,8H2,1-3H3
InChIKeyMYQUSEFSOXHMPU-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine (CID 79484639) is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(C)nc1-c1cccc(Cl)c1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is MYQUSEFSOXHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10(2)16-8-12-9-18(3)17-14(12)11-5-4-6-13(15)7-11/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79484639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).