N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C14H21N3O2 — CID 75393319

IUPACN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC2C3CCC(C3)C2CO)n[nH]1
InChIInChI=1S/C14H21N3O2/c1-8-4-11(17-16-8)6-13(19)15-14-10-3-2-9(5-10)12(14)7-18/h4,9-10,12,14,18H,2-3,5-7H2,1H3,(H,15,19)(H,16,17)
InChIKeySMUWEVCFIUBDQB-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.78
Rot. Bonds4

About N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 75393319) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID75393319
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC2C3CCC(C3)C2CO)n[nH]1
InChIInChI=1S/C14H21N3O2/c1-8-4-11(17-16-8)6-13(19)15-14-10-3-2-9(5-10)12(14)7-18/h4,9-10,12,14,18H,2-3,5-7H2,1H3,(H,15,19)(H,16,17)
InChIKeySMUWEVCFIUBDQB-UHFFFAOYSA-N
XLogP0.78
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64377150
3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64377921
3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 75429135
3-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79140364
(1S,2S,3R,4S)-3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233004
(1S,2S,3S,4S)-3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233005
N-(1-cyclohexyl-3-hydroxypropyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 109617523
N-[2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 109871314
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide
CID 109888166
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 109888215
5-ethyl-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-1H-pyrazole-3-carboxamide
CID 109888328
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide
CID 110011776

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 75393319) is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)NC2C3CCC(C3)C2CO)n[nH]1.
What is the InChIKey of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is SMUWEVCFIUBDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-4-11(17-16-8)6-13(19)15-14-10-3-2-9(5-10)12(14)7-18/h4,9-10,12,14,18H,2-3,5-7H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 75393319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).