N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H25N3O2 — CID 110907858

IUPACN-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCCN(CCO)C(=O)c1nn(-c2ccccc2C)c2c1CCC2
InChIInChI=1S/C19H25N3O2/c1-3-11-21(12-13-23)19(24)18-15-8-6-10-17(15)22(20-18)16-9-5-4-7-14(16)2/h4-5,7,9,23H,3,6,8,10-13H2,1-2H3
InChIKeyKTSPXWWZCQFKQA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.51
Rot. Bonds6

About N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110907858) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID110907858
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCCN(CCO)C(=O)c1nn(-c2ccccc2C)c2c1CCC2
InChIInChI=1S/C19H25N3O2/c1-3-11-21(12-13-23)19(24)18-15-8-6-10-17(15)22(20-18)16-9-5-4-7-14(16)2/h4-5,7,9,23H,3,6,8,10-13H2,1-2H3
InChIKeyKTSPXWWZCQFKQA-UHFFFAOYSA-N
XLogP2.51
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110890136
2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198235
tert-butyl 2-[2-(dimethylamino)ethyl-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetate
CID 60618923
N-[3-(2-hydroxyethoxy)propyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110022185
N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119660746
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
2,5-dihydropyrrol-1-yl-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 126827969
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 48652204
(3-hydroxyazetidin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 71920014
6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219866
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
CID 110887162
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126818881

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 110907858) is N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CCCN(CCO)C(=O)c1nn(-c2ccccc2C)c2c1CCC2.
What is the InChIKey of N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is KTSPXWWZCQFKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-11-21(12-13-23)19(24)18-15-8-6-10-17(15)22(20-18)16-9-5-4-7-14(16)2/h4-5,7,9,23H,3,6,8,10-13H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110907858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).