1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol

C14H25ClN4O — CID 56802882

IUPAC1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCc1nn(C)c(Cl)c1CN1CCN(CC(C)O)C(C)C1
InChIInChI=1S/C14H25ClN4O/c1-10-7-18(5-6-19(10)8-11(2)20)9-13-12(3)16-17(4)14(13)15/h10-11,20H,5-9H2,1-4H3
InChIKeyHYKNQHVRCMNXCF-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.27
Rot. Bonds4

About 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol

1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 56802882) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID56802882
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCc1nn(C)c(Cl)c1CN1CCN(CC(C)O)C(C)C1
InChIInChI=1S/C14H25ClN4O/c1-10-7-18(5-6-19(10)8-11(2)20)9-13-12(3)16-17(4)14(13)15/h10-11,20H,5-9H2,1-4H3
InChIKeyHYKNQHVRCMNXCF-UHFFFAOYSA-N
XLogP1.27
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol (CID 56802882) is 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol is Cc1nn(C)c(Cl)c1CN1CCN(CC(C)O)C(C)C1.
What is the InChIKey of 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is HYKNQHVRCMNXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-10-7-18(5-6-19(10)8-11(2)20)9-13-12(3)16-17(4)14(13)15/h10-11,20H,5-9H2,1-4H3.
What are the key properties of 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol?
1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 300.83 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56802882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).