1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine

C14H26ClN5 — CID 114659610

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
SMILESCCCn1ncc(Cl)c1C(N)CC1CN(C)CCN1C
InChIInChI=1S/C14H26ClN5/c1-4-5-20-14(12(15)9-17-20)13(16)8-11-10-18(2)6-7-19(11)3/h9,11,13H,4-8,10,16H2,1-3H3
InChIKeyBFVGYHMFDDYLFH-UHFFFAOYSA-N
MW299.85 g/mol
LogP1.58
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine (PubChem CID 114659610) has the molecular formula C14H26ClN5 and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
PubChem CID114659610
Molecular FormulaC14H26ClN5
Molecular Weight299.85 g/mol
Exact Mass299.19
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
SMILESCCCn1ncc(Cl)c1C(N)CC1CN(C)CCN1C
InChIInChI=1S/C14H26ClN5/c1-4-5-20-14(12(15)9-17-20)13(16)8-11-10-18(2)6-7-19(11)3/h9,11,13H,4-8,10,16H2,1-3H3
InChIKeyBFVGYHMFDDYLFH-UHFFFAOYSA-N
XLogP1.58
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169577
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659608
2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114659615
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244342
(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114657737
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657209
2-(1,4-dimethylpiperazin-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 113305498

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine (CID 114659610) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine is CCCn1ncc(Cl)c1C(N)CC1CN(C)CCN1C.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
The InChIKey is BFVGYHMFDDYLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5/c1-4-5-20-14(12(15)9-17-20)13(16)8-11-10-18(2)6-7-19(11)3/h9,11,13H,4-8,10,16H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine has a molecular weight of 299.85 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 114659610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).