N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide

C16H22N4O3 — CID 75432430

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(C2CN(C(=O)NCc3c(C)n[nH]c3C)CCO2)o1
InChIInChI=1S/C16H22N4O3/c1-10-4-5-14(23-10)15-9-20(6-7-22-15)16(21)17-8-13-11(2)18-19-12(13)3/h4-5,15H,6-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyLQVNICGWJCTZEL-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.21
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide (PubChem CID 75432430) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
PubChem CID75432430
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(C2CN(C(=O)NCc3c(C)n[nH]c3C)CCO2)o1
InChIInChI=1S/C16H22N4O3/c1-10-4-5-14(23-10)15-9-20(6-7-22-15)16(21)17-8-13-11(2)18-19-12(13)3/h4-5,15H,6-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyLQVNICGWJCTZEL-UHFFFAOYSA-N
XLogP2.21
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
CID 126441433
N-(1H-indol-2-ylmethyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75389166
(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 97242314
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide
CID 84589773
(2S)-2-(5-methylfuran-2-yl)-N-[(3-nitrophenyl)methyl]morpholine-4-carboxamide
CID 97071301
(2R)-2-(5-methylfuran-2-yl)-N-[(3-nitrophenyl)methyl]morpholine-4-carboxamide
CID 97071302
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 109398792
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
(2S)-N-[(1R,2R)-2-methoxycyclohexyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 98874217
N-[2-(dimethylamino)-6-methyl-3-pyridinyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75389140
(2R)-N-(2-methoxy-3-pyridinyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 124603422

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide (CID 75432430) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide is Cc1ccc(C2CN(C(=O)NCc3c(C)n[nH]c3C)CCO2)o1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The InChIKey is LQVNICGWJCTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-4-5-14(23-10)15-9-20(6-7-22-15)16(21)17-8-13-11(2)18-19-12(13)3/h4-5,15H,6-9H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 75432430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).