4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride

C18H25ClN4O2 — CID 120920833

IUPAC4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCc2cnn(-c3ccccc3)c2)CCOCC1
InChIInChI=1S/C18H24N4O2.ClH/c19-14-18(7-10-24-11-8-18)17(23)20-9-6-15-12-21-22(13-15)16-4-2-1-3-5-16;/h1-5,12-13H,6-11,14,19H2,(H,20,23);1H
InChIKeyAHOFLADXHMWBGR-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.71
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120920833) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride
PubChem CID120920833
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCc2cnn(-c3ccccc3)c2)CCOCC1
InChIInChI=1S/C18H24N4O2.ClH/c19-14-18(7-10-24-11-8-18)17(23)20-9-6-15-12-21-22(13-15)16-4-2-1-3-5-16;/h1-5,12-13H,6-11,14,19H2,(H,20,23);1H
InChIKeyAHOFLADXHMWBGR-UHFFFAOYSA-N
XLogP1.71
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120922301
1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 72865599
4-(aminomethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]oxane-4-carboxamide
CID 120929098
4-(aminomethyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120925955
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64892585
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 55889380
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120917677
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
(2S)-1-benzoyl-2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-2-carboxamide
CID 97349528

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride (CID 120920833) is 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NCCc2cnn(-c3ccccc3)c2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is AHOFLADXHMWBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c19-14-18(7-10-24-11-8-18)17(23)20-9-6-15-12-21-22(13-15)16-4-2-1-3-5-16;/h1-5,12-13H,6-11,14,19H2,(H,20,23);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120920833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).