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

C15H20ClN5 — CID 43554219

IUPAC5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(c3ccc(Cl)cc3)CC2)c1N
InChIInChI=1S/C15H20ClN5/c1-11-14(17)15(19(2)18-11)21-9-7-20(8-10-21)13-5-3-12(16)4-6-13/h3-6H,7-10,17H2,1-2H3
InChIKeyDPQFCVHHRRIOID-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.29
Rot. Bonds2

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

5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine (PubChem CID 43554219) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
PubChem CID43554219
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(c3ccc(Cl)cc3)CC2)c1N
InChIInChI=1S/C15H20ClN5/c1-11-14(17)15(19(2)18-11)21-9-7-20(8-10-21)13-5-3-12(16)4-6-13/h3-6H,7-10,17H2,1-2H3
InChIKeyDPQFCVHHRRIOID-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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine (CID 43554219) is 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(N2CCN(c3ccc(Cl)cc3)CC2)c1N.
What is the InChIKey of 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is DPQFCVHHRRIOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-11-14(17)15(19(2)18-11)21-9-7-20(8-10-21)13-5-3-12(16)4-6-13/h3-6H,7-10,17H2,1-2H3.
What are the key properties of 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
5-[4-(4-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-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).