4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine

C17H25N5O — CID 75510022

IUPAC4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine
SMILESCCOc1cc(N2CCC(Cn3nc(C)cc3C)CC2)ncn1
InChIInChI=1S/C17H25N5O/c1-4-23-17-10-16(18-12-19-17)21-7-5-15(6-8-21)11-22-14(3)9-13(2)20-22/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeySZJCVSBZLBCLKA-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.61
Rot. Bonds5

About 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine

4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine (PubChem CID 75510022) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine
PubChem CID75510022
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine
SMILESCCOc1cc(N2CCC(Cn3nc(C)cc3C)CC2)ncn1
InChIInChI=1S/C17H25N5O/c1-4-23-17-10-16(18-12-19-17)21-7-5-15(6-8-21)11-22-14(3)9-13(2)20-22/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeySZJCVSBZLBCLKA-UHFFFAOYSA-N
XLogP2.61
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(5-Methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 166634775
4-[3-(5-Methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
CID 166635102
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 50980960
4-Cyclopropyl-6-[(1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)methoxy]pyrimidine
CID 132451730
1-[6-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yloxy)-pyrimidin-4-yl]-piperidine-4-carboxylic acid ethyl ester
CID 67117474
2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 89611702
2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 89611763
4-[3-(Trifluoromethyl)-5-methyl-1H-pyrazole-1-yl]-6-(3-butynyloxy)pyrimidine
CID 102132806
4-[3-(Trifluoromethyl)-5-methyl-1H-pyrazole-1-yl]-6-(2-propynyloxy)pyrimidine
CID 102132807
4-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 122375484
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methoxy}pyrimidine
CID 137937081
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy}pyrimidine
CID 137937082

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine?
The IUPAC name of 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine (CID 75510022) is 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine.
What is the SMILES notation for 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine?
The canonical SMILES for 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine is CCOc1cc(N2CCC(Cn3nc(C)cc3C)CC2)ncn1.
What is the InChIKey of 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine?
The InChIKey is SZJCVSBZLBCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-23-17-10-16(18-12-19-17)21-7-5-15(6-8-21)11-22-14(3)9-13(2)20-22/h9-10,12,15H,4-8,11H2,1-3H3.
What are the key properties of 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine?
4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine has a molecular weight of 315.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-6-ethoxypyrimidine is sourced from PubChem (CID 75510022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).