[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine

C13H24N4O — CID 56721872

IUPAC[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)(C)c1cc(CN2CCOC(CN)C2)[nH]n1
InChIInChI=1S/C13H24N4O/c1-13(2,3)12-6-10(15-16-12)8-17-4-5-18-11(7-14)9-17/h6,11H,4-5,7-9,14H2,1-3H3,(H,15,16)
InChIKeyOJQHRLUOHCOTBD-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.87
Rot. Bonds3

About [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine

[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 56721872) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine
PubChem CID56721872
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)(C)c1cc(CN2CCOC(CN)C2)[nH]n1
InChIInChI=1S/C13H24N4O/c1-13(2,3)12-6-10(15-16-12)8-17-4-5-18-11(7-14)9-17/h6,11H,4-5,7-9,14H2,1-3H3,(H,15,16)
InChIKeyOJQHRLUOHCOTBD-UHFFFAOYSA-N
XLogP0.87
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-1,4-oxazepan-6-ol
CID 70727587
4-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-propylmorpholine
CID 50970056
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 56705116
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4,4-difluoro-1-piperidinyl)-3-pyrrolidinol
CID 56899816
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-methylpiperidine-3,4-diol
CID 72934641
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethoxy)piperidine
CID 77084666
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-methylpiperidine-4-carbonitrile
CID 77086208
4-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]piperazine-1-sulfonamide
CID 77088565
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethyl)piperazine
CID 77097114
1-[(6S)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 95714757
(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 96376848
(2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide
CID 126440083

Frequently Asked Questions

What is the IUPAC name of [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine (CID 56721872) is [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine is CC(C)(C)c1cc(CN2CCOC(CN)C2)[nH]n1.
What is the InChIKey of [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is OJQHRLUOHCOTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)12-6-10(15-16-12)8-17-4-5-18-11(7-14)9-17/h6,11H,4-5,7-9,14H2,1-3H3,(H,15,16).
What are the key properties of [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine?
[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 56721872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).