N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine

C17H25N3 — CID 105148148

IUPACN-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1C(CCc1cccc(C)c1)NC
InChIInChI=1S/C17H25N3/c1-4-12-20-17(10-11-19-20)16(18-3)9-8-15-7-5-6-14(2)13-15/h5-7,10-11,13,16,18H,4,8-9,12H2,1-3H3
InChIKeyXMSWFSFYQHBZRG-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.49
Rot. Bonds7

About N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine

N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine (PubChem CID 105148148) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine
PubChem CID105148148
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1C(CCc1cccc(C)c1)NC
InChIInChI=1S/C17H25N3/c1-4-12-20-17(10-11-19-20)16(18-3)9-8-15-7-5-6-14(2)13-15/h5-7,10-11,13,16,18H,4,8-9,12H2,1-3H3
InChIKeyXMSWFSFYQHBZRG-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105183535
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-3-ylethanamine
CID 63977457
2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65128079
N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105104098
1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857365
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 66146843
2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 66070427
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974493
[2-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105202686
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine (CID 105148148) is N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine is CCCn1nccc1C(CCc1cccc(C)c1)NC.
What is the InChIKey of N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine?
The InChIKey is XMSWFSFYQHBZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-12-20-17(10-11-19-20)16(18-3)9-8-15-7-5-6-14(2)13-15/h5-7,10-11,13,16,18H,4,8-9,12H2,1-3H3.
What are the key properties of N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine?
N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 105148148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).