1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

C16H31ClN4 — CID 79047262

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1c(Cl)c(CC)nn1C)C(C)(C)N(C)C
InChIInChI=1S/C16H31ClN4/c1-8-10-18-14(16(3,4)20(5)6)11-13-15(17)12(9-2)19-21(13)7/h14,18H,8-11H2,1-7H3
InChIKeyUAWDUGZVAJMWMP-UHFFFAOYSA-N
MW314.91 g/mol
LogP2.89
Rot. Bonds8

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (PubChem CID 79047262) has the molecular formula C16H31ClN4 and a molecular weight of 314.91 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
PubChem CID79047262
Molecular FormulaC16H31ClN4
Molecular Weight314.91 g/mol
Exact Mass314.22
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1c(Cl)c(CC)nn1C)C(C)(C)N(C)C
InChIInChI=1S/C16H31ClN4/c1-8-10-18-14(16(3,4)20(5)6)11-13-15(17)12(9-2)19-21(13)7/h14,18H,8-11H2,1-7H3
InChIKeyUAWDUGZVAJMWMP-UHFFFAOYSA-N
XLogP2.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.91
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (CID 79047262) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is CCCNC(Cc1c(Cl)c(CC)nn1C)C(C)(C)N(C)C.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The InChIKey is UAWDUGZVAJMWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClN4/c1-8-10-18-14(16(3,4)20(5)6)11-13-15(17)12(9-2)19-21(13)7/h14,18H,8-11H2,1-7H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine has a molecular weight of 314.91 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is sourced from PubChem (CID 79047262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).