4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine

C15H21N5 — CID 131891459

IUPAC4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
SMILESCCn1ccc(CN2CCCC(c3ccncn3)C2)n1
InChIInChI=1S/C15H21N5/c1-2-20-9-6-14(18-20)11-19-8-3-4-13(10-19)15-5-7-16-12-17-15/h5-7,9,12-13H,2-4,8,10-11H2,1H3
InChIKeySSMNAIBFBLIMME-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.07
Rot. Bonds4

About 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine

4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine (PubChem CID 131891459) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
PubChem CID131891459
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
SMILESCCn1ccc(CN2CCCC(c3ccncn3)C2)n1
InChIInChI=1S/C15H21N5/c1-2-20-9-6-14(18-20)11-19-8-3-4-13(10-19)15-5-7-16-12-17-15/h5-7,9,12-13H,2-4,8,10-11H2,1H3
InChIKeySSMNAIBFBLIMME-UHFFFAOYSA-N
XLogP2.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine (CID 131891459) is 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine is CCn1ccc(CN2CCCC(c3ccncn3)C2)n1.
What is the InChIKey of 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine?
The InChIKey is SSMNAIBFBLIMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-20-9-6-14(18-20)11-19-8-3-4-13(10-19)15-5-7-16-12-17-15/h5-7,9,12-13H,2-4,8,10-11H2,1H3.
What are the key properties of 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine?
4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 131891459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).