5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine

C15H20ClN5 — CID 43553966

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(c3cccc(Cl)c3)CC2)c1N
InChIInChI=1S/C15H20ClN5/c1-11-14(17)15(19(2)18-11)21-8-6-20(7-9-21)13-5-3-4-12(16)10-13/h3-5,10H,6-9,17H2,1-2H3
InChIKeyBYSKPDJLXXCVDU-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.29
Rot. Bonds2

About 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine

5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine (PubChem CID 43553966) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
PubChem CID43553966
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(c3cccc(Cl)c3)CC2)c1N
InChIInChI=1S/C15H20ClN5/c1-11-14(17)15(19(2)18-11)21-8-6-20(7-9-21)13-5-3-4-12(16)10-13/h3-5,10H,6-9,17H2,1-2H3
InChIKeyBYSKPDJLXXCVDU-UHFFFAOYSA-N
XLogP2.29
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43554219
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
CID 51326192
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
1,3-dimethyl-5-piperidin-1-ylpyrazol-4-amine
CID 43553940
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555429
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine (CID 43553966) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(N2CCN(c3cccc(Cl)c3)CC2)c1N.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is BYSKPDJLXXCVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-11-14(17)15(19(2)18-11)21-8-6-20(7-9-21)13-5-3-4-12(16)10-13/h3-5,10H,6-9,17H2,1-2H3.
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 305.81 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43553966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).