4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine

C22H29N5O — CID 46981244

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
SMILESCCOc1ccc(-c2[nH]ncc2CN2CCC(n3nc(C)cc3C)CC2)cc1
InChIInChI=1S/C22H29N5O/c1-4-28-21-7-5-18(6-8-21)22-19(14-23-24-22)15-26-11-9-20(10-12-26)27-17(3)13-16(2)25-27/h5-8,13-14,20H,4,9-12,15H2,1-3H3,(H,23,24)
InChIKeyVOQCJQASKAVJJO-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.13
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine

4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine (PubChem CID 46981244) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
PubChem CID46981244
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
SMILESCCOc1ccc(-c2[nH]ncc2CN2CCC(n3nc(C)cc3C)CC2)cc1
InChIInChI=1S/C22H29N5O/c1-4-28-21-7-5-18(6-8-21)22-19(14-23-24-22)15-26-11-9-20(10-12-26)27-17(3)13-16(2)25-27/h5-8,13-14,20H,4,9-12,15H2,1-3H3,(H,23,24)
InChIKeyVOQCJQASKAVJJO-UHFFFAOYSA-N
XLogP4.13
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine (CID 46981244) is 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine is CCOc1ccc(-c2[nH]ncc2CN2CCC(n3nc(C)cc3C)CC2)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine?
The InChIKey is VOQCJQASKAVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-4-28-21-7-5-18(6-8-21)22-19(14-23-24-22)15-26-11-9-20(10-12-26)27-17(3)13-16(2)25-27/h5-8,13-14,20H,4,9-12,15H2,1-3H3,(H,23,24).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine?
4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine has a molecular weight of 379.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 46981244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).