N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine

C17H25N3 — CID 60946182

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2cnn(C(C)(C)C)c2)cc1
InChIInChI=1S/C17H25N3/c1-13-6-8-16(9-7-13)14(2)18-10-15-11-19-20(12-15)17(3,4)5/h6-9,11-12,14,18H,10H2,1-5H3
InChIKeyHZUFYZHURCZRMP-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.80
Rot. Bonds4

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 60946182) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID60946182
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2cnn(C(C)(C)C)c2)cc1
InChIInChI=1S/C17H25N3/c1-13-6-8-16(9-7-13)14(2)18-10-15-11-19-20(12-15)17(3,4)5/h6-9,11-12,14,18H,10H2,1-5H3
InChIKeyHZUFYZHURCZRMP-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81367241
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 93291145
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 94193136
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 103398918
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78978020
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 81402195
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43769272
N-[(1-tert-butylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115660312
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 43779764
2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 61247444

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 60946182) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCc2cnn(C(C)(C)C)c2)cc1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is HZUFYZHURCZRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13-6-8-16(9-7-13)14(2)18-10-15-11-19-20(12-15)17(3,4)5/h6-9,11-12,14,18H,10H2,1-5H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 60946182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).