2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine

C16H23N3 — CID 115621711

IUPAC2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
SMILESCn1cc(CNC(C)(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H23N3/c1-16(2,10-9-14-7-5-4-6-8-14)17-11-15-12-18-19(3)13-15/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyMUQPFQUSZXJZKP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.92
Rot. Bonds6

About 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine (PubChem CID 115621711) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
PubChem CID115621711
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
SMILESCn1cc(CNC(C)(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H23N3/c1-16(2,10-9-14-7-5-4-6-8-14)17-11-15-12-18-19(3)13-15/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyMUQPFQUSZXJZKP-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115682655
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659
2,2,3-trimethyl-3-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 65265166
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 78969503
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine
CID 115690864
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 106817114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine (CID 115621711) is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine is Cn1cc(CNC(C)(C)CCc2ccccc2)cn1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
The InChIKey is MUQPFQUSZXJZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,10-9-14-7-5-4-6-8-14)17-11-15-12-18-19(3)13-15/h4-8,12-13,17H,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine?
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 115621711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).