4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine

C21H25N5O — CID 56743181

IUPAC4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C21H25N5O/c1-27-14-19-12-20(23-15-22-19)26-9-7-17(8-10-26)21-18(13-24-25-21)11-16-5-3-2-4-6-16/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,24,25)
InChIKeyVACMTOAKVUMTHK-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.32
Rot. Bonds6

About 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine

4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine (PubChem CID 56743181) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
PubChem CID56743181
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C21H25N5O/c1-27-14-19-12-20(23-15-22-19)26-9-7-17(8-10-26)21-18(13-24-25-21)11-16-5-3-2-4-6-16/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,24,25)
InChIKeyVACMTOAKVUMTHK-UHFFFAOYSA-N
XLogP3.32
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine (CID 56743181) is 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine is COCc1cc(N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)ncn1.
What is the InChIKey of 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The InChIKey is VACMTOAKVUMTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-27-14-19-12-20(23-15-22-19)26-9-7-17(8-10-26)21-18(13-24-25-21)11-16-5-3-2-4-6-16/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,24,25).
What are the key properties of 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine has a molecular weight of 363.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 56743181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).