[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine

C13H24N4O — CID 120844424

IUPAC[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCc1nn(C(C)C)cc1CN1CCOC(CN)C1
InChIInChI=1S/C13H24N4O/c1-10(2)17-8-12(11(3)15-17)7-16-4-5-18-13(6-14)9-16/h8,10,13H,4-7,9,14H2,1-3H3
InChIKeySJCMQOGWRZYILK-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.93
Rot. Bonds4

About [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine

[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 120844424) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
PubChem CID120844424
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCc1nn(C(C)C)cc1CN1CCOC(CN)C1
InChIInChI=1S/C13H24N4O/c1-10(2)17-8-12(11(3)15-17)7-16-4-5-18-13(6-14)9-16/h8,10,13H,4-7,9,14H2,1-3H3
InChIKeySJCMQOGWRZYILK-UHFFFAOYSA-N
XLogP0.93
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 120841022
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393446
[(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 95211553
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120846935
(6R)-6-methyl-4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1,4-thiazepane 1,1-dioxide
CID 124888339
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 115824593
(5S,7S)-7-methyl-9-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 124741907

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine (CID 120844424) is [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine is Cc1nn(C(C)C)cc1CN1CCOC(CN)C1.
What is the InChIKey of [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is SJCMQOGWRZYILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-8-12(11(3)15-17)7-16-4-5-18-13(6-14)9-16/h8,10,13H,4-7,9,14H2,1-3H3.
What are the key properties of [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine?
[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 120844424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).