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

C23H33N3O — CID 175911679

IUPAC1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
SMILESCC(C)COc1ccc(Cn2nc(N3CCCCC3)cc2CC2CC2)cc1
InChIInChI=1S/C23H33N3O/c1-18(2)17-27-22-10-8-20(9-11-22)16-26-21(14-19-6-7-19)15-23(24-26)25-12-4-3-5-13-25/h8-11,15,18-19H,3-7,12-14,16-17H2,1-2H3
InChIKeyZDNARSFZZKFCEJ-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.91
Rot. Bonds8

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

1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine (PubChem CID 175911679) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
PubChem CID175911679
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
SMILESCC(C)COc1ccc(Cn2nc(N3CCCCC3)cc2CC2CC2)cc1
InChIInChI=1S/C23H33N3O/c1-18(2)17-27-22-10-8-20(9-11-22)16-26-21(14-19-6-7-19)15-23(24-26)25-12-4-3-5-13-25/h8-11,15,18-19H,3-7,12-14,16-17H2,1-2H3
InChIKeyZDNARSFZZKFCEJ-UHFFFAOYSA-N
XLogP4.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
CID 175430727
4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine
CID 175430720
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
2-[3-benzyl-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]piperidine
CID 177309902
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
1-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110550998
1-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110551464
1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690490
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043070
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline
CID 22641435

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine?
The IUPAC name of 1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine (CID 175911679) is 1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine.
What is the SMILES notation for 1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine?
The canonical SMILES for 1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine is CC(C)COc1ccc(Cn2nc(N3CCCCC3)cc2CC2CC2)cc1.
What is the InChIKey of 1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine?
The InChIKey is ZDNARSFZZKFCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-18(2)17-27-22-10-8-20(9-11-22)16-26-21(14-19-6-7-19)15-23(24-26)25-12-4-3-5-13-25/h8-11,15,18-19H,3-7,12-14,16-17H2,1-2H3.
What are the key properties of 1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine?
1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine has a molecular weight of 367.54 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine is sourced from PubChem (CID 175911679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).