4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine

C21H25N5O2 — CID 56749521

IUPAC4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine
SMILESCOCc1cc(N2CCC(c3[nH]ncc3-c3cccc(OC)c3)CC2)ncn1
InChIInChI=1S/C21H25N5O2/c1-27-13-17-11-20(23-14-22-17)26-8-6-15(7-9-26)21-19(12-24-25-21)16-4-3-5-18(10-16)28-2/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,24,25)
InChIKeyLYLSKTBHLGJBQE-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.41
Rot. Bonds6

About 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine

4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine (PubChem CID 56749521) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine
PubChem CID56749521
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine
SMILESCOCc1cc(N2CCC(c3[nH]ncc3-c3cccc(OC)c3)CC2)ncn1
InChIInChI=1S/C21H25N5O2/c1-27-13-17-11-20(23-14-22-17)26-8-6-15(7-9-26)21-19(12-24-25-21)16-4-3-5-18(10-16)28-2/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,24,25)
InChIKeyLYLSKTBHLGJBQE-UHFFFAOYSA-N
XLogP3.41
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
CID 56711059
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 70785248
[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013
N-[4-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42479585
(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70737159
5-[6-(methoxymethyl)pyrimidin-4-yl]-3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56758536
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42431676
4-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 95227792
4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110268772
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 56738996
4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
CID 95839872

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine (CID 56749521) is 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine is COCc1cc(N2CCC(c3[nH]ncc3-c3cccc(OC)c3)CC2)ncn1.
What is the InChIKey of 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine?
The InChIKey is LYLSKTBHLGJBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-27-13-17-11-20(23-14-22-17)26-8-6-15(7-9-26)21-19(12-24-25-21)16-4-3-5-18(10-16)28-2/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,24,25).
What are the key properties of 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine?
4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine has a molecular weight of 379.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 56749521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).