2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C15H26N4O — CID 36803387

IUPAC2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)C2CCCCCC2)n(C)n1
InChIInChI=1S/C15H26N4O/c1-12-10-14(19(3)17-12)16-15(20)11-18(2)13-8-6-4-5-7-9-13/h10,13H,4-9,11H2,1-3H3,(H,16,20)
InChIKeyHXPQCAKXVYEDFG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds4

About 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 36803387) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID36803387
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)C2CCCCCC2)n(C)n1
InChIInChI=1S/C15H26N4O/c1-12-10-14(19(3)17-12)16-15(20)11-18(2)13-8-6-4-5-7-9-13/h10,13H,4-9,11H2,1-3H3,(H,16,20)
InChIKeyHXPQCAKXVYEDFG-UHFFFAOYSA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 129432128
2-[cyclohexyl(methyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154358
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
1-[(2S,6S)-2,6-dimethylcyclohexyl]-3-(2,5-dimethylpyrazol-3-yl)-1-methylurea
CID 95303024
2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 95294341
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 51287128
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
CID 47093320
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 36803387) is 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)C2CCCCCC2)n(C)n1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is HXPQCAKXVYEDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-10-14(19(3)17-12)16-15(20)11-18(2)13-8-6-4-5-7-9-13/h10,13H,4-9,11H2,1-3H3,(H,16,20).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 36803387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).