1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine

C12H23ClN4 — CID 114656746

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
SMILESCCC(C)(C(NC)c1c(Cl)cnn1C)N(C)C
InChIInChI=1S/C12H23ClN4/c1-7-12(2,16(4)5)11(14-3)10-9(13)8-15-17(10)6/h8,11,14H,7H2,1-6H3
InChIKeyVONGDBGKPGKIHI-UHFFFAOYSA-N
MW258.80 g/mol
LogP2.06
Rot. Bonds5

About 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine

1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine (PubChem CID 114656746) has the molecular formula C12H23ClN4 and a molecular weight of 258.80 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
PubChem CID114656746
Molecular FormulaC12H23ClN4
Molecular Weight258.80 g/mol
Exact Mass258.16
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
SMILESCCC(C)(C(NC)c1c(Cl)cnn1C)N(C)C
InChIInChI=1S/C12H23ClN4/c1-7-12(2,16(4)5)11(14-3)10-9(13)8-15-17(10)6/h8,11,14H,7H2,1-6H3
InChIKeyVONGDBGKPGKIHI-UHFFFAOYSA-N
XLogP2.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 114656801
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 114656777
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114656892
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 114656737
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 114644430
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656648
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114648465
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114657117
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656630
[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine
CID 105217742
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 114650522

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine (CID 114656746) is 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine is CCC(C)(C(NC)c1c(Cl)cnn1C)N(C)C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The InChIKey is VONGDBGKPGKIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN4/c1-7-12(2,16(4)5)11(14-3)10-9(13)8-15-17(10)6/h8,11,14H,7H2,1-6H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine has a molecular weight of 258.80 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine is sourced from PubChem (CID 114656746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).