N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C14H27ClN4 — CID 79661884

IUPACN'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCc1nn(C)c(CN(CC)CC(C)(C)CN)c1Cl
InChIInChI=1S/C14H27ClN4/c1-6-11-13(15)12(18(5)17-11)8-19(7-2)10-14(3,4)9-16/h6-10,16H2,1-5H3
InChIKeySENQBQDTMAQQAH-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.44
Rot. Bonds7

About N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79661884) has the molecular formula C14H27ClN4 and a molecular weight of 286.85 g/mol. Its IUPAC name is N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79661884
Molecular FormulaC14H27ClN4
Molecular Weight286.85 g/mol
Exact Mass286.19
IUPAC NameN'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCc1nn(C)c(CN(CC)CC(C)(C)CN)c1Cl
InChIInChI=1S/C14H27ClN4/c1-6-11-13(15)12(18(5)17-11)8-19(7-2)10-14(3,4)9-16/h6-10,16H2,1-5H3
InChIKeySENQBQDTMAQQAH-UHFFFAOYSA-N
XLogP2.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79661884) is N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCc1nn(C)c(CN(CC)CC(C)(C)CN)c1Cl.
What is the InChIKey of N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is SENQBQDTMAQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN4/c1-6-11-13(15)12(18(5)17-11)8-19(7-2)10-14(3,4)9-16/h6-10,16H2,1-5H3.
What are the key properties of N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 286.85 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79661884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).