(2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide

C19H24N4O2 — CID 120926329

IUPAC(2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C19H24N4O2/c1-13-18(20-10-11-25-13)19(24)21-12-16-15-8-5-9-17(15)23(22-16)14-6-3-2-4-7-14/h2-4,6-7,13,18,20H,5,8-12H2,1H3,(H,21,24)/t13-,18+/m1/s1
InChIKeyARTSBQNGSURNCN-ACJLOTCBSA-N
MW340.43 g/mol
LogP1.35
Rot. Bonds4

About (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide (PubChem CID 120926329) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide
PubChem CID120926329
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C19H24N4O2/c1-13-18(20-10-11-25-13)19(24)21-12-16-15-8-5-9-17(15)23(22-16)14-6-3-2-4-7-14/h2-4,6-7,13,18,20H,5,8-12H2,1H3,(H,21,24)/t13-,18+/m1/s1
InChIKeyARTSBQNGSURNCN-ACJLOTCBSA-N
XLogP1.35
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119297684
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 94624692
1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 55863203
N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiomorpholine-4-carboxamide
CID 71938738
6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 60526390
2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride
CID 120986692
3-(5-methylfuran-2-yl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]prop-2-enamide
CID 91942509
(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120923560
3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
CID 55862192
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide (CID 120926329) is (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide?
The InChIKey is ARTSBQNGSURNCN-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-18(20-10-11-25-13)19(24)21-12-16-15-8-5-9-17(15)23(22-16)14-6-3-2-4-7-14/h2-4,6-7,13,18,20H,5,8-12H2,1H3,(H,21,24)/t13-,18+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120926329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).