N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C19H23ClN4O2 — CID 127702053

IUPACN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN1CCOC(C(NC(=O)c2n[nH]c3c2CCC3)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H23ClN4O2/c1-24-9-10-26-16(11-24)17(12-5-7-13(20)8-6-12)21-19(25)18-14-3-2-4-15(14)22-23-18/h5-8,16-17H,2-4,9-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyYZGZMRKUYYESTO-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.35
Rot. Bonds4

About N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 127702053) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID127702053
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN1CCOC(C(NC(=O)c2n[nH]c3c2CCC3)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H23ClN4O2/c1-24-9-10-26-16(11-24)17(12-5-7-13(20)8-6-12)21-19(25)18-14-3-2-4-15(14)22-23-18/h5-8,16-17H,2-4,9-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyYZGZMRKUYYESTO-UHFFFAOYSA-N
XLogP2.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 127702053) is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN1CCOC(C(NC(=O)c2n[nH]c3c2CCC3)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YZGZMRKUYYESTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-24-9-10-26-16(11-24)17(12-5-7-13(20)8-6-12)21-19(25)18-14-3-2-4-15(14)22-23-18/h5-8,16-17H,2-4,9-11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 127702053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).