4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine

C15H22N6 — CID 86791685

IUPAC4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine
SMILESCCn1nccc1CN1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C15H22N6/c1-3-21-14(4-7-17-21)12-19-8-10-20(11-9-19)15-5-6-16-13(2)18-15/h4-7H,3,8-12H2,1-2H3
InChIKeyQUWYHKSMOPCUCR-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.32
Rot. Bonds4

About 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine

4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine (PubChem CID 86791685) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine
PubChem CID86791685
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine
SMILESCCn1nccc1CN1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C15H22N6/c1-3-21-14(4-7-17-21)12-19-8-10-20(11-9-19)15-5-6-16-13(2)18-15/h4-7H,3,8-12H2,1-2H3
InChIKeyQUWYHKSMOPCUCR-UHFFFAOYSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine (CID 86791685) is 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine is CCn1nccc1CN1CCN(c2ccnc(C)n2)CC1.
What is the InChIKey of 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is QUWYHKSMOPCUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-3-21-14(4-7-17-21)12-19-8-10-20(11-9-19)15-5-6-16-13(2)18-15/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine?
4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine has a molecular weight of 286.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 86791685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).