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

C16H23N5O — CID 56760095

IUPAC4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCCc1cn[nH]c1C1CCCN(c2cc(COC)ncn2)C1
InChIInChI=1S/C16H23N5O/c1-3-12-8-19-20-16(12)13-5-4-6-21(9-13)15-7-14(10-22-2)17-11-18-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,19,20)
InChIKeyIIOBSKOPYVWFPC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.29
Rot. Bonds5

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

4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine (PubChem CID 56760095) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
PubChem CID56760095
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCCc1cn[nH]c1C1CCCN(c2cc(COC)ncn2)C1
InChIInChI=1S/C16H23N5O/c1-3-12-8-19-20-16(12)13-5-4-6-21(9-13)15-7-14(10-22-2)17-11-18-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,19,20)
InChIKeyIIOBSKOPYVWFPC-UHFFFAOYSA-N
XLogP2.29
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-4-(3-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591706
CID 72873636
CID 72873636
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 72922967
cis-3-{2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-3-yl)-1-piperidinyl]-4-pyrimidinyl}cyclobutanamine dihydrochloride
CID 91768503
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110112074
2-(4-methyl-1H-pyrazol-5-yl)-4-pyrazin-2-ylmorpholine
CID 110269268
2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
CID 110269334
4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 56743181
1-(5-Ethyl-2-methylpyrimidin-4-YL)-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}piperidin-4-amine
CID 72915073
1-(5-cyclopropyl-1H-pyrazol-3-yl)-N-{[2-(methoxymethyl)pyrimidin-5-yl]methyl}-N-methylmethanamine
CID 77080328
6-(methoxymethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]pyrimidin-4-amine
CID 97137138
(4S)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 164633957

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine (CID 56760095) is 4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine is CCc1cn[nH]c1C1CCCN(c2cc(COC)ncn2)C1.
What is the InChIKey of 4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
The InChIKey is IIOBSKOPYVWFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-12-8-19-20-16(12)13-5-4-6-21(9-13)15-7-14(10-22-2)17-11-18-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine?
4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine has a molecular weight of 301.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 56760095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).