[2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone

C18H31N3O2 — CID 45202125

IUPAC[2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCOC(CCCC(C)C)C2)c1C
InChIInChI=1S/C18H31N3O2/c1-5-9-21-15(4)17(12-19-21)18(22)20-10-11-23-16(13-20)8-6-7-14(2)3/h12,14,16H,5-11,13H2,1-4H3
InChIKeySOBBEIJCIKGKCK-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.27
Rot. Bonds7

About [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone

[2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 45202125) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID45202125
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name[2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCOC(CCCC(C)C)C2)c1C
InChIInChI=1S/C18H31N3O2/c1-5-9-21-15(4)17(12-19-21)18(22)20-10-11-23-16(13-20)8-6-7-14(2)3/h12,14,16H,5-11,13H2,1-4H3
InChIKeySOBBEIJCIKGKCK-UHFFFAOYSA-N
XLogP3.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
CID 50979496
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
(1S*,2S*)-2-{4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}cyclohexanol
CID 72868463
5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
CID 72929946
(1,3-Dimethylpyrazol-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 71915844
N-(cyclopropylmethyl)-N-(2-methoxyethyl)-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72873698
4-{[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}-5-methyl-1-propyl-1H-pyrazole
CID 72887191
N,3-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 95190406
3-[(Cyclopropylmethoxy)methyl]-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-4,4-difluoropiperidine
CID 124051186
(1R*,5R*)-6-(2-methoxyethyl)-3-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133121668

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone (CID 45202125) is [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone is CCCn1ncc(C(=O)N2CCOC(CCCC(C)C)C2)c1C.
What is the InChIKey of [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is SOBBEIJCIKGKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-9-21-15(4)17(12-19-21)18(22)20-10-11-23-16(13-20)8-6-7-14(2)3/h12,14,16H,5-11,13H2,1-4H3.
What are the key properties of [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
[2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 321.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 45202125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).