[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol

C14H20N6O — CID 28963502

IUPAC[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N2CCN(c3ncccn3)CC2)c1CO
InChIInChI=1S/C14H20N6O/c1-11-12(10-21)13(18(2)17-11)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5,21H,6-10H2,1-2H3
InChIKeyOTPGBPCXNLGWNL-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.34
Rot. Bonds3

About [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol

[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol (PubChem CID 28963502) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol
PubChem CID28963502
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N2CCN(c3ncccn3)CC2)c1CO
InChIInChI=1S/C14H20N6O/c1-11-12(10-21)13(18(2)17-11)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5,21H,6-10H2,1-2H3
InChIKeyOTPGBPCXNLGWNL-UHFFFAOYSA-N
XLogP0.34
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]pyrimidine
CID 107079291
[5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-yl]methanol
CID 61445720
[1,3-dimethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrazol-4-yl]methanol
CID 114411383
1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 36873080
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102959804
[5-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-yl]methanol
CID 107456605
4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 119119334
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperazine
CID 28964290
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 19682868
1-ethyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952513
2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine
CID 63783708

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol (CID 28963502) is [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol is Cc1nn(C)c(N2CCN(c3ncccn3)CC2)c1CO.
What is the InChIKey of [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol?
The InChIKey is OTPGBPCXNLGWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11-12(10-21)13(18(2)17-11)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5,21H,6-10H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol?
[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol has a molecular weight of 288.35 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 28963502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).