N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine

C17H24ClN3 — CID 66158284

IUPACN-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
SMILESCCCc1nn(C)cc1-c1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C17H24ClN3/c1-5-6-17-16(11-21(4)20-17)15-8-7-14(18)9-13(15)10-19-12(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3
InChIKeyKVDFKALIXOCVHH-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.19
Rot. Bonds6

About N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine

N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine (PubChem CID 66158284) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
PubChem CID66158284
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
SMILESCCCc1nn(C)cc1-c1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C17H24ClN3/c1-5-6-17-16(11-21(4)20-17)15-8-7-14(18)9-13(15)10-19-12(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3
InChIKeyKVDFKALIXOCVHH-UHFFFAOYSA-N
XLogP4.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158084
N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66010129
N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine
CID 66160506
N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
CID 106888845
N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485539
N-[[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66156907
N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine
CID 106659183
N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
CID 66160680
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-chlorophenyl]-N-methylmethanamine
CID 66155715
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine (CID 66158284) is N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine is CCCc1nn(C)cc1-c1ccc(Cl)cc1CNC(C)C.
What is the InChIKey of N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine?
The InChIKey is KVDFKALIXOCVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-5-6-17-16(11-21(4)20-17)15-8-7-14(18)9-13(15)10-19-12(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66158284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).