1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine

C18H24ClN3O — CID 56600756

IUPAC1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2Cl)n(CC2CCCC2)n1
InChIInChI=1S/C18H24ClN3O/c1-20-11-16-10-18(22(21-16)12-14-6-2-3-7-14)23-13-15-8-4-5-9-17(15)19/h4-5,8-10,14,20H,2-3,6-7,11-13H2,1H3
InChIKeyRBCZFGCJGMZWAT-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.03
Rot. Bonds7

About 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine

1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine (PubChem CID 56600756) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine
PubChem CID56600756
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2Cl)n(CC2CCCC2)n1
InChIInChI=1S/C18H24ClN3O/c1-20-11-16-10-18(22(21-16)12-14-6-2-3-7-14)23-13-15-8-4-5-9-17(15)19/h4-5,8-10,14,20H,2-3,6-7,11-13H2,1H3
InChIKeyRBCZFGCJGMZWAT-UHFFFAOYSA-N
XLogP4.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine (CID 56600756) is 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2Cl)n(CC2CCCC2)n1.
What is the InChIKey of 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is RBCZFGCJGMZWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-20-11-16-10-18(22(21-16)12-14-6-2-3-7-14)23-13-15-8-4-5-9-17(15)19/h4-5,8-10,14,20H,2-3,6-7,11-13H2,1H3.
What are the key properties of 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine?
1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 333.86 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-chlorophenyl)methoxy]-1-(cyclopentylmethyl)pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 56600756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).