2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide

C14H23N5O2 — CID 51091035

IUPAC2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide
SMILESNC(=O)Cn1ccc(NCC(=O)NC2CCCCCC2)n1
InChIInChI=1S/C14H23N5O2/c15-12(20)10-19-8-7-13(18-19)16-9-14(21)17-11-5-3-1-2-4-6-11/h7-8,11H,1-6,9-10H2,(H2,15,20)(H,16,18)(H,17,21)
InChIKeyYRHWVPRZWBGNMF-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.62
Rot. Bonds6

About 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide

2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide (PubChem CID 51091035) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide
PubChem CID51091035
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide
SMILESNC(=O)Cn1ccc(NCC(=O)NC2CCCCCC2)n1
InChIInChI=1S/C14H23N5O2/c15-12(20)10-19-8-7-13(18-19)16-9-14(21)17-11-5-3-1-2-4-6-11/h7-8,11H,1-6,9-10H2,(H2,15,20)(H,16,18)(H,17,21)
InChIKeyYRHWVPRZWBGNMF-UHFFFAOYSA-N
XLogP0.62
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 5300144
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
CID 54901941
2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795
2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623357
N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 103606806
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
N-cycloheptyl-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805314
N-cyclohexyl-2-(2,6-difluoroanilino)acetamide
CID 28879040

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide?
The IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide (CID 51091035) is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide is NC(=O)Cn1ccc(NCC(=O)NC2CCCCCC2)n1.
What is the InChIKey of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide?
The InChIKey is YRHWVPRZWBGNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c15-12(20)10-19-8-7-13(18-19)16-9-14(21)17-11-5-3-1-2-4-6-11/h7-8,11H,1-6,9-10H2,(H2,15,20)(H,16,18)(H,17,21).
What are the key properties of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide?
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide has a molecular weight of 293.37 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-cycloheptylacetamide is sourced from PubChem (CID 51091035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).