4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide

C14H24N4O2 — CID 125442724

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC[C@H]2CNCCO2)n1
InChIInChI=1S/C14H24N4O2/c1-11-8-12(2)18(17-11)6-3-4-14(19)16-10-13-9-15-5-7-20-13/h8,13,15H,3-7,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyXDVJAWAFXFDJCG-CYBMUJFWSA-N
MW280.37 g/mol
LogP0.38
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide (PubChem CID 125442724) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide
PubChem CID125442724
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC[C@H]2CNCCO2)n1
InChIInChI=1S/C14H24N4O2/c1-11-8-12(2)18(17-11)6-3-4-14(19)16-10-13-9-15-5-7-20-13/h8,13,15H,3-7,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyXDVJAWAFXFDJCG-CYBMUJFWSA-N
XLogP0.38
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[[(2R)-morpholin-2-yl]methyl]pyrazole-3-carboxamide
CID 143160987
4-methyl-N-(morpholin-2-ylmethyl)pentanamide
CID 43603056
2-(2-methylphenyl)-N-(morpholin-2-ylmethyl)acetamide
CID 43602980
1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
CID 116586283
4-amino-1-methyl-N-(morpholin-2-ylmethyl)pyrazole-3-carboxamide
CID 122445315
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 56887679
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124588176
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
1-[(5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 110124474
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
N-(morpholin-2-ylmethyl)-3-pyridin-3-ylpropanamide
CID 115323825
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide (CID 125442724) is 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide is Cc1cc(C)n(CCCC(=O)NC[C@H]2CNCCO2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide?
The InChIKey is XDVJAWAFXFDJCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-8-12(2)18(17-11)6-3-4-14(19)16-10-13-9-15-5-7-20-13/h8,13,15H,3-7,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide has a molecular weight of 280.37 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-morpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 125442724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).