[1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine

C14H17Cl2N3 — CID 39095770

IUPAC[1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine
SMILESCC(C)(C)n1cc(CN)c(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H17Cl2N3/c1-14(2,3)19-8-10(7-17)13(18-19)9-4-5-11(15)12(16)6-9/h4-6,8H,7,17H2,1-3H3
InChIKeyMNZWDACYTGDUMB-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.07
Rot. Bonds2

About [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine

[1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine (PubChem CID 39095770) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine
PubChem CID39095770
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name[1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine
SMILESCC(C)(C)n1cc(CN)c(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H17Cl2N3/c1-14(2,3)19-8-10(7-17)13(18-19)9-4-5-11(15)12(16)6-9/h4-6,8H,7,17H2,1-3H3
InChIKeyMNZWDACYTGDUMB-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-tert-butyl-3-(4-chlorophenyl)pyrazol-4-yl]methanamine
CID 39095767
[4-(3,4-dichlorophenyl)phenyl]methanamine
CID 3610827
2-(1-tert-butyl-3-phenylpyrazol-4-yl)acetic acid
CID 39096056
[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 112749101
2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 11048260
4-tert-butyl-3-(3,4-dichlorophenyl)-1,2,4-triazole
CID 115394372
1-tert-butyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83222373
2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]acetonitrile
CID 39097055
2-tert-butyl-5-(3,4-dichlorophenyl)-3-prop-2-enylimidazol-4-amine
CID 63468748
5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
CID 84604378
(2-chloro-5-pyridin-4-ylphenyl)methanamine
CID 67257195
[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721393

Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine (CID 39095770) is [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine is CC(C)(C)n1cc(CN)c(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine?
The InChIKey is MNZWDACYTGDUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-14(2,3)19-8-10(7-17)13(18-19)9-4-5-11(15)12(16)6-9/h4-6,8H,7,17H2,1-3H3.
What are the key properties of [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine?
[1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine has a molecular weight of 298.22 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 39095770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).