N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine

C18H27N3 — CID 103851409

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine
SMILESCc1c(CNC(C)CC(C)(C)c2ccccc2)cnn1C
InChIInChI=1S/C18H27N3/c1-14(19-12-16-13-20-21(5)15(16)2)11-18(3,4)17-9-7-6-8-10-17/h6-10,13-14,19H,11-12H2,1-5H3
InChIKeyWUZMHURNOOFDFE-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.57
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine (PubChem CID 103851409) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine
PubChem CID103851409
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine
SMILESCc1c(CNC(C)CC(C)(C)c2ccccc2)cnn1C
InChIInChI=1S/C18H27N3/c1-14(19-12-16-13-20-21(5)15(16)2)11-18(3,4)17-9-7-6-8-10-17/h6-10,13-14,19H,11-12H2,1-5H3
InChIKeyWUZMHURNOOFDFE-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 79570845
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenylpentan-2-amine
CID 62323185
(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol
CID 103851995
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
CID 79579267
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576
4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol
CID 103851578
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 71968624
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine (CID 103851409) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine is Cc1c(CNC(C)CC(C)(C)c2ccccc2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine?
The InChIKey is WUZMHURNOOFDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(19-12-16-13-20-21(5)15(16)2)11-18(3,4)17-9-7-6-8-10-17/h6-10,13-14,19H,11-12H2,1-5H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine is sourced from PubChem (CID 103851409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).