1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol

C15H27N5O — CID 63946859

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
SMILESCc1nn(CC(O)CN2CCN(C3CC3)CC2)c(C)c1N
InChIInChI=1S/C15H27N5O/c1-11-15(16)12(2)20(17-11)10-14(21)9-18-5-7-19(8-6-18)13-3-4-13/h13-14,21H,3-10,16H2,1-2H3
InChIKeyUUPTXIJATDZLSZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.22
Rot. Bonds5

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol (PubChem CID 63946859) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
PubChem CID63946859
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
SMILESCc1nn(CC(O)CN2CCN(C3CC3)CC2)c(C)c1N
InChIInChI=1S/C15H27N5O/c1-11-15(16)12(2)20(17-11)10-14(21)9-18-5-7-19(8-6-18)13-3-4-13/h13-14,21H,3-10,16H2,1-2H3
InChIKeyUUPTXIJATDZLSZ-UHFFFAOYSA-N
XLogP0.22
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol (CID 63946859) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol is Cc1nn(CC(O)CN2CCN(C3CC3)CC2)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol?
The InChIKey is UUPTXIJATDZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-15(16)12(2)20(17-11)10-14(21)9-18-5-7-19(8-6-18)13-3-4-13/h13-14,21H,3-10,16H2,1-2H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 63946859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).