N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine

C16H22ClN3 — CID 83083511

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine
SMILESCn1cc(CNCc2ccc(Cl)cc2)c(C(C)(C)C)n1
InChIInChI=1S/C16H22ClN3/c1-16(2,3)15-13(11-20(4)19-15)10-18-9-12-5-7-14(17)8-6-12/h5-8,11,18H,9-10H2,1-4H3
InChIKeyUZSFEOLARUSWJT-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.66
Rot. Bonds4

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine (PubChem CID 83083511) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine
PubChem CID83083511
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine
SMILESCn1cc(CNCc2ccc(Cl)cc2)c(C(C)(C)C)n1
InChIInChI=1S/C16H22ClN3/c1-16(2,3)15-13(11-20(4)19-15)10-18-9-12-5-7-14(17)8-6-12/h5-8,11,18H,9-10H2,1-4H3
InChIKeyUZSFEOLARUSWJT-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 83082450
1-(3-bromophenyl)-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 83082889
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 83074881
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]prop-2-yn-1-amine
CID 83082202
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 83092162
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 83082881
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 83092687
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 167835319
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,4,5-trichloroaniline
CID 83092160
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103887742
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 83083257
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103887705

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine (CID 83083511) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine is Cn1cc(CNCc2ccc(Cl)cc2)c(C(C)(C)C)n1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine?
The InChIKey is UZSFEOLARUSWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-16(2,3)15-13(11-20(4)19-15)10-18-9-12-5-7-14(17)8-6-12/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine has a molecular weight of 291.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine is sourced from PubChem (CID 83083511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).