4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine

C24H33N5O — CID 46980898

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
SMILESCc1cc(C)n(C2CCN(Cc3ccc(OC(C)C)c(Cn4cccn4)c3)CC2)n1
InChIInChI=1S/C24H33N5O/c1-18(2)30-24-7-6-21(15-22(24)17-28-11-5-10-25-28)16-27-12-8-23(9-13-27)29-20(4)14-19(3)26-29/h5-7,10-11,14-15,18,23H,8-9,12-13,16-17H2,1-4H3
InChIKeyMWTKJPQUENXXFD-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.37
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine

4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine (PubChem CID 46980898) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
PubChem CID46980898
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
SMILESCc1cc(C)n(C2CCN(Cc3ccc(OC(C)C)c(Cn4cccn4)c3)CC2)n1
InChIInChI=1S/C24H33N5O/c1-18(2)30-24-7-6-21(15-22(24)17-28-11-5-10-25-28)16-27-12-8-23(9-13-27)29-20(4)14-19(3)26-29/h5-7,10-11,14-15,18,23H,8-9,12-13,16-17H2,1-4H3
InChIKeyMWTKJPQUENXXFD-UHFFFAOYSA-N
XLogP4.37
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine with MolForge

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Related Compounds

(3aS,9aR)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3,3a,4,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine
CID 110136385
4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine
CID 170870373
8-ethyl-5-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-oxa-5,8-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-one
CID 110066277
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125
1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 56905482
4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 46981244
1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46965834
6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 131909865
3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 50978885
5-benzyl-2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine
CID 129459414
1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine
CID 46981268
2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92640067

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine (CID 46980898) is 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine is Cc1cc(C)n(C2CCN(Cc3ccc(OC(C)C)c(Cn4cccn4)c3)CC2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
The InChIKey is MWTKJPQUENXXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-18(2)30-24-7-6-21(15-22(24)17-28-11-5-10-25-28)16-27-12-8-23(9-13-27)29-20(4)14-19(3)26-29/h5-7,10-11,14-15,18,23H,8-9,12-13,16-17H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine has a molecular weight of 407.56 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 46980898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).