1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine

C12H23ClN4 — CID 113470301

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCc1nn(C)c(Cl)c1CC(N)C(C)(C)N(C)C
InChIInChI=1S/C12H23ClN4/c1-8-9(11(13)17(6)15-8)7-10(14)12(2,3)16(4)5/h10H,7,14H2,1-6H3
InChIKeyHGZFGWVHQZMWPQ-UHFFFAOYSA-N
MW258.80 g/mol
LogP1.59
Rot. Bonds4

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine (PubChem CID 113470301) has the molecular formula C12H23ClN4 and a molecular weight of 258.80 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
PubChem CID113470301
Molecular FormulaC12H23ClN4
Molecular Weight258.80 g/mol
Exact Mass258.16
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCc1nn(C)c(Cl)c1CC(N)C(C)(C)N(C)C
InChIInChI=1S/C12H23ClN4/c1-8-9(11(13)17(6)15-8)7-10(14)12(2,3)16(4)5/h10H,7,14H2,1-6H3
InChIKeyHGZFGWVHQZMWPQ-UHFFFAOYSA-N
XLogP1.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
CID 103517071
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035202
1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243365
3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79052789
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
CID 113470210
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225160
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105180396
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
CID 116555894
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propan-2-ol
CID 62334987
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105180369

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine (CID 113470301) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine is Cc1nn(C)c(Cl)c1CC(N)C(C)(C)N(C)C.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The InChIKey is HGZFGWVHQZMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN4/c1-8-9(11(13)17(6)15-8)7-10(14)12(2,3)16(4)5/h10H,7,14H2,1-6H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine has a molecular weight of 258.80 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine is sourced from PubChem (CID 113470301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).