(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide

C12H18N4O3 — CID 95815552

IUPAC(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)c2ccn(C)n2)CCO1
InChIInChI=1S/C12H18N4O3/c1-12(11(18)13-2)8-16(6-7-19-12)10(17)9-4-5-15(3)14-9/h4-5H,6-8H2,1-3H3,(H,13,18)/t12-/m0/s1
InChIKeyWTFBWRGYMUPFBY-LBPRGKRZSA-N
MW266.30 g/mol
LogP-0.60
Rot. Bonds2

About (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide

(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide (PubChem CID 95815552) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
PubChem CID95815552
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)c2ccn(C)n2)CCO1
InChIInChI=1S/C12H18N4O3/c1-12(11(18)13-2)8-16(6-7-19-12)10(17)9-4-5-15(3)14-9/h4-5H,6-8H2,1-3H3,(H,13,18)/t12-/m0/s1
InChIKeyWTFBWRGYMUPFBY-LBPRGKRZSA-N
XLogP-0.60
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 110253416
(2R)-N,2-dimethyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholine-2-carboxamide
CID 124986885
N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide
CID 110106963
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
CID 110106977
(2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide
CID 95839532
(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 124978041
4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 132764227
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 110094849
(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839493
N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
CID 134072659

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide (CID 95815552) is (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide is CNC(=O)[C@]1(C)CN(C(=O)c2ccn(C)n2)CCO1.
What is the InChIKey of (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide?
The InChIKey is WTFBWRGYMUPFBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(11(18)13-2)8-16(6-7-19-12)10(17)9-4-5-15(3)14-9/h4-5H,6-8H2,1-3H3,(H,13,18)/t12-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide?
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 95815552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).