1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine

C14H27ClN4 — CID 114664173

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine
SMILESCCCC(CCc1c(Cl)cnn1CCN(C)C)NC
InChIInChI=1S/C14H27ClN4/c1-5-6-12(16-2)7-8-14-13(15)11-17-19(14)10-9-18(3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyVGPGHIVPSOQUPY-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.42
Rot. Bonds9

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine (PubChem CID 114664173) has the molecular formula C14H27ClN4 and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine
PubChem CID114664173
Molecular FormulaC14H27ClN4
Molecular Weight286.85 g/mol
Exact Mass286.19
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine
SMILESCCCC(CCc1c(Cl)cnn1CCN(C)C)NC
InChIInChI=1S/C14H27ClN4/c1-5-6-12(16-2)7-8-14-13(15)11-17-19(14)10-9-18(3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyVGPGHIVPSOQUPY-UHFFFAOYSA-N
XLogP2.42
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]pentan-3-amine
CID 114663857
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine
CID 114664361
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664348
1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine
CID 114664248
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
CID 114664997
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-2-one
CID 114663500
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-3-ol
CID 114664927
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 114662832
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine
CID 114664174
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methoxypentan-1-ol
CID 114645623

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine (CID 114664173) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine is CCCC(CCc1c(Cl)cnn1CCN(C)C)NC.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine?
The InChIKey is VGPGHIVPSOQUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN4/c1-5-6-12(16-2)7-8-14-13(15)11-17-19(14)10-9-18(3)4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine has a molecular weight of 286.85 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine is sourced from PubChem (CID 114664173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).