3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile

C14H23N5O — CID 75402151

IUPAC3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile
SMILESCn1cc(CN(CCC#N)CCN2CCOCC2)cn1
InChIInChI=1S/C14H23N5O/c1-17-12-14(11-16-17)13-19(4-2-3-15)6-5-18-7-9-20-10-8-18/h11-12H,2,4-10,13H2,1H3
InChIKeyUMFYXIIRTJKNTE-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.47
Rot. Bonds7

About 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile

3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile (PubChem CID 75402151) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile
PubChem CID75402151
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile
SMILESCn1cc(CN(CCC#N)CCN2CCOCC2)cn1
InChIInChI=1S/C14H23N5O/c1-17-12-14(11-16-17)13-19(4-2-3-15)6-5-18-7-9-20-10-8-18/h11-12H,2,4-10,13H2,1H3
InChIKeyUMFYXIIRTJKNTE-UHFFFAOYSA-N
XLogP0.47
TPSA57.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 72044103
[4-[(1-Ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 75438496
2-[(4aR,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylethanamine
CID 97377391
2-[(4aR,7aS)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N,N-dimethylethanamine
CID 97510638
4-(2-(1H-Pyrazol-1-YL)ethyl)morpholine
CID 46739602
1-(2-Ethoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53609485
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(tetrahydro-2H-pyran-4-yl)piperazine
CID 74248427
4-[(1-Ethylpyrazol-4-yl)methyl]-2,5,5-trimethylmorpholine
CID 75506964
(2S)-2,5,5-trimethyl-4-[(1-propylpyrazol-4-yl)methyl]morpholine
CID 97832204
(2S)-2-(2-methoxyethyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine
CID 129615448
(2S)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-methylpropanenitrile
CID 164632364
1-[(1-Tert-butylpyrazol-4-yl)methyl]-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 53589080

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile (CID 75402151) is 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile is Cn1cc(CN(CCC#N)CCN2CCOCC2)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile?
The InChIKey is UMFYXIIRTJKNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-17-12-14(11-16-17)13-19(4-2-3-15)6-5-18-7-9-20-10-8-18/h11-12H,2,4-10,13H2,1H3.
What are the key properties of 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile?
3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile has a molecular weight of 277.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile is sourced from PubChem (CID 75402151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).