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

C24H35N3O — CID 175430720

IUPAC4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine
SMILESCC(C)COc1ccc(Cn2nc(CC3CC3)cc2C2CCN(C)CC2)cc1
InChIInChI=1S/C24H35N3O/c1-18(2)17-28-23-8-6-20(7-9-23)16-27-24(21-10-12-26(3)13-11-21)15-22(25-27)14-19-4-5-19/h6-9,15,18-19,21H,4-5,10-14,16-17H2,1-3H3
InChIKeyUQQMELFLUNJKKY-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.73
Rot. Bonds8

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

4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine (PubChem CID 175430720) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine
PubChem CID175430720
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine
SMILESCC(C)COc1ccc(Cn2nc(CC3CC3)cc2C2CCN(C)CC2)cc1
InChIInChI=1S/C24H35N3O/c1-18(2)17-28-23-8-6-20(7-9-23)16-27-24(21-10-12-26(3)13-11-21)15-22(25-27)14-19-4-5-19/h6-9,15,18-19,21H,4-5,10-14,16-17H2,1-3H3
InChIKeyUQQMELFLUNJKKY-UHFFFAOYSA-N
XLogP4.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
CID 175430727
1-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
CID 175911679
2-[3-benzyl-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]piperidine
CID 177309902
7-fluoro-4-(3-fluoro-1-methylpiperidin-4-yl)-2-[[4-(2-methylpropoxy)phenyl]methyl]-1,5-dihydro-2,4-benzodiazepin-3-one
CID 166818500
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine
CID 166818497
3-(1-methylpiperidin-4-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]-1-(1,3-oxazol-4-ylmethyl)urea
CID 171051103
5-methyl-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]-5-phenyl-1,3-diazinan-2-one
CID 175913031
2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043070
4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine
CID 123944716
N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-3-[4-(2-methylpropoxy)phenyl]propanamide
CID 58478685
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperazine
CID 82263292

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine?
The IUPAC name of 4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine (CID 175430720) is 4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine?
The canonical SMILES for 4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine is CC(C)COc1ccc(Cn2nc(CC3CC3)cc2C2CCN(C)CC2)cc1.
What is the InChIKey of 4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine?
The InChIKey is UQQMELFLUNJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-18(2)17-28-23-8-6-20(7-9-23)16-27-24(21-10-12-26(3)13-11-21)15-22(25-27)14-19-4-5-19/h6-9,15,18-19,21H,4-5,10-14,16-17H2,1-3H3.
What are the key properties of 4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine?
4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine has a molecular weight of 381.56 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-5-yl]-1-methylpiperidine is sourced from PubChem (CID 175430720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).