N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine

C16H23N3 — CID 43685440

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCc1n[nH]c(C)c1CNC(c1ccccc1)C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)16(14-8-6-5-7-9-14)17-10-15-12(3)18-19-13(15)4/h5-9,11,16-17H,10H2,1-4H3,(H,18,19)
InChIKeyDEPZNMYPXMOVQW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.51
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 43685440) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID43685440
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCc1n[nH]c(C)c1CNC(c1ccccc1)C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)16(14-8-6-5-7-9-14)17-10-15-12(3)18-19-13(15)4/h5-9,11,16-17H,10H2,1-4H3,(H,18,19)
InChIKeyDEPZNMYPXMOVQW-UHFFFAOYSA-N
XLogP3.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43645072
(1S)-1-(3-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81381287
(1R)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81383005
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
(1R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376295
1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43677530
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735003
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43645070
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 62996333
3-chloro-2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 78959543
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine (CID 43685440) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine is Cc1n[nH]c(C)c1CNC(c1ccccc1)C(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is DEPZNMYPXMOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)16(14-8-6-5-7-9-14)17-10-15-12(3)18-19-13(15)4/h5-9,11,16-17H,10H2,1-4H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43685440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).