3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile

C14H17N7 — CID 146481728

IUPAC3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
SMILESCc1nn(-c2ncc(CN3CCNCC3)cn2)cc1C#N
InChIInChI=1S/C14H17N7/c1-11-13(6-15)10-21(19-11)14-17-7-12(8-18-14)9-20-4-2-16-3-5-20/h7-8,10,16H,2-5,9H2,1H3
InChIKeyQAZSHEPQTYJGRN-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.25
Rot. Bonds3

About 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile

3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile (PubChem CID 146481728) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
PubChem CID146481728
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
SMILESCc1nn(-c2ncc(CN3CCNCC3)cn2)cc1C#N
InChIInChI=1S/C14H17N7/c1-11-13(6-15)10-21(19-11)14-17-7-12(8-18-14)9-20-4-2-16-3-5-20/h7-8,10,16H,2-5,9H2,1H3
InChIKeyQAZSHEPQTYJGRN-UHFFFAOYSA-N
XLogP0.25
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(difluoromethoxy)-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
CID 146482055
2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 146481780
3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile
CID 166906197
2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine
CID 146481782
4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile
CID 166906205
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 178104268
4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile
CID 156544456
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 82509495
2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile
CID 82510197
6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84786136
1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine
CID 66022281

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile (CID 146481728) is 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile is Cc1nn(-c2ncc(CN3CCNCC3)cn2)cc1C#N.
What is the InChIKey of 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile?
The InChIKey is QAZSHEPQTYJGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-11-13(6-15)10-21(19-11)14-17-7-12(8-18-14)9-20-4-2-16-3-5-20/h7-8,10,16H,2-5,9H2,1H3.
What are the key properties of 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile?
3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 146481728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).