4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine

C23H33N3O — CID 175430727

IUPAC4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
SMILESCC(C)COc1ccc(Cn2nc(C3CCNCC3)cc2CC2CC2)cc1
InChIInChI=1S/C23H33N3O/c1-17(2)16-27-22-7-5-19(6-8-22)15-26-21(13-18-3-4-18)14-23(25-26)20-9-11-24-12-10-20/h5-8,14,17-18,20,24H,3-4,9-13,15-16H2,1-2H3
InChIKeyQDYFLMRYNZUCIN-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.39
Rot. Bonds8

About 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine

4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine (PubChem CID 175430727) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
PubChem CID175430727
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
SMILESCC(C)COc1ccc(Cn2nc(C3CCNCC3)cc2CC2CC2)cc1
InChIInChI=1S/C23H33N3O/c1-17(2)16-27-22-7-5-19(6-8-22)15-26-21(13-18-3-4-18)14-23(25-26)20-9-11-24-12-10-20/h5-8,14,17-18,20,24H,3-4,9-13,15-16H2,1-2H3
InChIKeyQDYFLMRYNZUCIN-UHFFFAOYSA-N
XLogP4.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine?
The IUPAC name of 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine (CID 175430727) is 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine?
The canonical SMILES for 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine is CC(C)COc1ccc(Cn2nc(C3CCNCC3)cc2CC2CC2)cc1.
What is the InChIKey of 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine?
The InChIKey is QDYFLMRYNZUCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17(2)16-27-22-7-5-19(6-8-22)15-26-21(13-18-3-4-18)14-23(25-26)20-9-11-24-12-10-20/h5-8,14,17-18,20,24H,3-4,9-13,15-16H2,1-2H3.
What are the key properties of 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine?
4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine has a molecular weight of 367.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine is sourced from PubChem (CID 175430727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).