1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine

C15H29ClN4 — CID 114656801

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1c(Cl)cnn1CC
InChIInChI=1S/C15H29ClN4/c1-7-15(5,19(8-2)9-3)14(17-6)13-12(16)11-18-20(13)10-4/h11,14,17H,7-10H2,1-6H3
InChIKeyAXUHLYAOZCPSQW-UHFFFAOYSA-N
MW300.88 g/mol
LogP3.33
Rot. Bonds8

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine (PubChem CID 114656801) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
PubChem CID114656801
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1c(Cl)cnn1CC
InChIInChI=1S/C15H29ClN4/c1-7-15(5,19(8-2)9-3)14(17-6)13-12(16)11-18-20(13)10-4/h11,14,17H,7-10H2,1-6H3
InChIKeyAXUHLYAOZCPSQW-UHFFFAOYSA-N
XLogP3.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine with MolForge

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 114656808
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine
CID 114656930
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-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 114656746
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 114656580
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656630
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661709
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114661589
1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 105040619
2-N,2-N-diethyl-1-N,2-dimethyl-1-(2-methylpyrazol-3-yl)butane-1,2-diamine
CID 79068676
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine (CID 114656801) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(NC)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The InChIKey is AXUHLYAOZCPSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClN4/c1-7-15(5,19(8-2)9-3)14(17-6)13-12(16)11-18-20(13)10-4/h11,14,17H,7-10H2,1-6H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine has a molecular weight of 300.88 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 114656801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).