3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C14H27ClN4 — CID 79092735

IUPAC3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1CC)CN(C)C
InChIInChI=1S/C14H27ClN4/c1-6-12-14(15)13(19(8-3)17-12)9-11(16-7-2)10-18(4)5/h11,16H,6-10H2,1-5H3
InChIKeyLHWCSPQJLPAYIV-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.20
Rot. Bonds8

About 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 79092735) has the molecular formula C14H27ClN4 and a molecular weight of 286.85 g/mol. Its IUPAC name is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID79092735
Molecular FormulaC14H27ClN4
Molecular Weight286.85 g/mol
Exact Mass286.19
IUPAC Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1CC)CN(C)C
InChIInChI=1S/C14H27ClN4/c1-6-12-14(15)13(19(8-3)17-12)9-11(16-7-2)10-18(4)5/h11,16H,6-10H2,1-5H3
InChIKeyLHWCSPQJLPAYIV-UHFFFAOYSA-N
XLogP2.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyloctan-2-amine
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[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
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1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
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1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
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2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
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N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-methylsulfanylbutan-2-amine
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2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(thian-2-yl)ethanamine
CID 80627356
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105318284
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-methylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 79092735) is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCNC(Cc1c(Cl)c(CC)nn1CC)CN(C)C.
What is the InChIKey of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is LHWCSPQJLPAYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN4/c1-6-12-14(15)13(19(8-3)17-12)9-11(16-7-2)10-18(4)5/h11,16H,6-10H2,1-5H3.
What are the key properties of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 286.85 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79092735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).