2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide

C16H20N4O2 — CID 110121715

IUPAC2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESNCc1cnn(-c2ccccc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H20N4O2/c17-8-12-9-19-20(11-12)15-6-2-1-5-14(15)16(21)18-10-13-4-3-7-22-13/h1-2,5-6,9,11,13H,3-4,7-8,10,17H2,(H,18,21)
InChIKeyOGNQHGKBINWLGW-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.24
Rot. Bonds5

About 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide

2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 110121715) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID110121715
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESNCc1cnn(-c2ccccc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H20N4O2/c17-8-12-9-19-20(11-12)15-6-2-1-5-14(15)16(21)18-10-13-4-3-7-22-13/h1-2,5-6,9,11,13H,3-4,7-8,10,17H2,(H,18,21)
InChIKeyOGNQHGKBINWLGW-UHFFFAOYSA-N
XLogP1.24
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124578851
2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 46037624
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 82171991
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 156601815
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 110121715) is 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide is NCc1cnn(-c2ccccc2C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is OGNQHGKBINWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-8-12-9-19-20(11-12)15-6-2-1-5-14(15)16(21)18-10-13-4-3-7-22-13/h1-2,5-6,9,11,13H,3-4,7-8,10,17H2,(H,18,21).
What are the key properties of 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide?
2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 110121715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).