1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine

C14H27ClN4 — CID 114656882

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCCn1ncc(Cl)c1C(N)C(CC)(CC)N(C)C
InChIInChI=1S/C14H27ClN4/c1-6-9-19-12(11(15)10-17-19)13(16)14(7-2,8-3)18(4)5/h10,13H,6-9,16H2,1-5H3
InChIKeyOLCGZMXLJHECEP-UHFFFAOYSA-N
MW286.85 g/mol
LogP3.07
Rot. Bonds7

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine

1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 114656882) has the molecular formula C14H27ClN4 and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
PubChem CID114656882
Molecular FormulaC14H27ClN4
Molecular Weight286.85 g/mol
Exact Mass286.19
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCCn1ncc(Cl)c1C(N)C(CC)(CC)N(C)C
InChIInChI=1S/C14H27ClN4/c1-6-9-19-12(11(15)10-17-19)13(16)14(7-2,8-3)18(4)5/h10,13H,6-9,16H2,1-5H3
InChIKeyOLCGZMXLJHECEP-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 114656737
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
CID 114661699
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656616
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661709

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine (CID 114656882) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine is CCCn1ncc(Cl)c1C(N)C(CC)(CC)N(C)C.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is OLCGZMXLJHECEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN4/c1-6-9-19-12(11(15)10-17-19)13(16)14(7-2,8-3)18(4)5/h10,13H,6-9,16H2,1-5H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine?
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 286.85 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 114656882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).