4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride

C18H25ClN4O2 — CID 120935805

IUPAC4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(CN)CCOCC1)c1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14(21-17(23)18(13-19)7-11-24-12-8-18)15-3-5-16(6-4-15)22-10-2-9-20-22;/h2-6,9-10,14H,7-8,11-13,19H2,1H3,(H,21,23);1H
InChIKeyODZNQWOHFOUQOS-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.23
Rot. Bonds5

About 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120935805) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
PubChem CID120935805
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(CN)CCOCC1)c1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14(21-17(23)18(13-19)7-11-24-12-8-18)15-3-5-16(6-4-15)22-10-2-9-20-22;/h2-6,9-10,14H,7-8,11-13,19H2,1H3,(H,21,23);1H
InChIKeyODZNQWOHFOUQOS-UHFFFAOYSA-N
XLogP2.23
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120933167
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
4-(aminomethyl)-N-(1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120918944
4-(aminomethyl)-N-[1-(4-cyanophenyl)ethyl]oxane-4-carboxamide
CID 115439059
4-(aminomethyl)-N-[1-(3,5-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 120931700
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
CID 115439767
4-(aminomethyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120927321
4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide
CID 120919609
4-(aminomethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120923965

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride (CID 120935805) is 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride is CC(NC(=O)C1(CN)CCOCC1)c1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is ODZNQWOHFOUQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-14(21-17(23)18(13-19)7-11-24-12-8-18)15-3-5-16(6-4-15)22-10-2-9-20-22;/h2-6,9-10,14H,7-8,11-13,19H2,1H3,(H,21,23);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120935805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).