2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine

C18H27N3 — CID 105348581

IUPAC2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine
SMILESCc1cnn(Cc2ccc(C(C)CNC(C)(C)C)cc2)c1
InChIInChI=1S/C18H27N3/c1-14-10-20-21(12-14)13-16-6-8-17(9-7-16)15(2)11-19-18(3,4)5/h6-10,12,15,19H,11,13H2,1-5H3
InChIKeyPEESIYKFLKDMRO-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.73
Rot. Bonds5

About 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine

2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine (PubChem CID 105348581) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine
PubChem CID105348581
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine
SMILESCc1cnn(Cc2ccc(C(C)CNC(C)(C)C)cc2)c1
InChIInChI=1S/C18H27N3/c1-14-10-20-21(12-14)13-16-6-8-17(9-7-16)15(2)11-19-18(3,4)5/h6-10,12,15,19H,11,13H2,1-5H3
InChIKeyPEESIYKFLKDMRO-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
CID 105346680
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole
CID 118871359
N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105346468
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652
2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447638
2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide
CID 86813981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine (CID 105348581) is 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine is Cc1cnn(Cc2ccc(C(C)CNC(C)(C)C)cc2)c1.
What is the InChIKey of 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine?
The InChIKey is PEESIYKFLKDMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-10-20-21(12-14)13-16-6-8-17(9-7-16)15(2)11-19-18(3,4)5/h6-10,12,15,19H,11,13H2,1-5H3.
What are the key properties of 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine?
2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]propyl]propan-2-amine is sourced from PubChem (CID 105348581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).