1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone

C16H21N5O2 — CID 165075811

IUPAC1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone
SMILESCC(=O)c1c(N)c(N2CCOCC2)nn1-c1ccc(CN)cc1
InChIInChI=1S/C16H21N5O2/c1-11(22)15-14(18)16(20-6-8-23-9-7-20)19-21(15)13-4-2-12(10-17)3-5-13/h2-5H,6-10,17-18H2,1H3
InChIKeyGMYJTJZSKYVJRI-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.95
Rot. Bonds4

About 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone

1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone (PubChem CID 165075811) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone
PubChem CID165075811
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone
SMILESCC(=O)c1c(N)c(N2CCOCC2)nn1-c1ccc(CN)cc1
InChIInChI=1S/C16H21N5O2/c1-11(22)15-14(18)16(20-6-8-23-9-7-20)19-21(15)13-4-2-12(10-17)3-5-13/h2-5H,6-10,17-18H2,1H3
InChIKeyGMYJTJZSKYVJRI-UHFFFAOYSA-N
XLogP0.95
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone
CID 165075810
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
ethyl 4-amino-1-[4-(aminomethyl)phenyl]-3-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole-5-carboxylate
CID 164784352
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 174935005
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
1-(6-cyclopropyl-2-morpholin-4-yl-3-pyridinyl)ethanone
CID 126497930
2-(4-morpholin-4-ylphenyl)ethanamine
CID 23009596
1-[6-[4-(aminomethyl)phenyl]-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
CID 155770188
(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid
CID 131873298

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone (CID 165075811) is 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone is CC(=O)c1c(N)c(N2CCOCC2)nn1-c1ccc(CN)cc1.
What is the InChIKey of 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone?
The InChIKey is GMYJTJZSKYVJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(22)15-14(18)16(20-6-8-23-9-7-20)19-21(15)13-4-2-12(10-17)3-5-13/h2-5H,6-10,17-18H2,1H3.
What are the key properties of 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone?
1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone has a molecular weight of 315.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone is sourced from PubChem (CID 165075811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).