(2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide

C23H24N4O4 — CID 96519383

IUPAC(2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide
SMILESCc1[nH]nc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C23H24N4O4/c1-15-21(17-7-8-18-19(11-17)31-14-30-18)22(26-25-15)24-23(28)20-13-27(9-10-29-20)12-16-5-3-2-4-6-16/h2-8,11,20H,9-10,12-14H2,1H3,(H2,24,25,26,28)/t20-/m1/s1
InChIKeyUPZIRAQEOVYRTQ-HXUWFJFHSA-N
MW420.47 g/mol
LogP2.95
Rot. Bonds5

About (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide

(2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide (PubChem CID 96519383) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide
PubChem CID96519383
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name(2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide
SMILESCc1[nH]nc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C23H24N4O4/c1-15-21(17-7-8-18-19(11-17)31-14-30-18)22(26-25-15)24-23(28)20-13-27(9-10-29-20)12-16-5-3-2-4-6-16/h2-8,11,20H,9-10,12-14H2,1H3,(H2,24,25,26,28)/t20-/m1/s1
InChIKeyUPZIRAQEOVYRTQ-HXUWFJFHSA-N
XLogP2.95
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780
(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
CID 95775991
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2,2-dimethylpropyl)morpholine-2-carboxamide
CID 16755586
(2S)-4-benzyl-N-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]morpholine-2-carboxamide
CID 96536863
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
CID 110246611
4-benzyl-N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
CID 16755584
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide
CID 42793697
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide
CID 162705279
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide (CID 96519383) is (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide is Cc1[nH]nc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide?
The InChIKey is UPZIRAQEOVYRTQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-21(17-7-8-18-19(11-17)31-14-30-18)22(26-25-15)24-23(28)20-13-27(9-10-29-20)12-16-5-3-2-4-6-16/h2-8,11,20H,9-10,12-14H2,1H3,(H2,24,25,26,28)/t20-/m1/s1.
What are the key properties of (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide?
(2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-yl]-4-benzylmorpholine-2-carboxamide is sourced from PubChem (CID 96519383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).