(2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide

C19H26N4O2 — CID 97031376

IUPAC(2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]3CN(C)CCO3)cc2)n1
InChIInChI=1S/C19H26N4O2/c1-13-11-14(2)23(21-13)17-7-5-16(6-8-17)15(3)20-19(24)18-12-22(4)9-10-25-18/h5-8,11,15,18H,9-10,12H2,1-4H3,(H,20,24)/t15-,18+/m0/s1
InChIKeyBITUURYSCNFCOQ-MAUKXSAKSA-N
MW342.44 g/mol
LogP2.00
Rot. Bonds4

About (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide

(2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide (PubChem CID 97031376) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide
PubChem CID97031376
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]3CN(C)CCO3)cc2)n1
InChIInChI=1S/C19H26N4O2/c1-13-11-14(2)23(21-13)17-7-5-16(6-8-17)15(3)20-19(24)18-12-22(4)9-10-25-18/h5-8,11,15,18H,9-10,12H2,1-4H3,(H,20,24)/t15-,18+/m0/s1
InChIKeyBITUURYSCNFCOQ-MAUKXSAKSA-N
XLogP2.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide
CID 119894662
(2R,3S)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942394
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
1-[[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124591003
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817
(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894609
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanamide
CID 75430701
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
CID 119894668
3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504201
(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide
CID 95971898
(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
CID 96570122
4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide
CID 166329759

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide (CID 97031376) is (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide is Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]3CN(C)CCO3)cc2)n1.
What is the InChIKey of (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is BITUURYSCNFCOQ-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-11-14(2)23(21-13)17-7-5-16(6-8-17)15(3)20-19(24)18-12-22(4)9-10-25-18/h5-8,11,15,18H,9-10,12H2,1-4H3,(H,20,24)/t15-,18+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide?
(2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 97031376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).