2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide

C12H20N4O — CID 63822540

IUPAC2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
SMILESCC1(CNC(=O)Cn2cc(N)cn2)CCCC1
InChIInChI=1S/C12H20N4O/c1-12(4-2-3-5-12)9-14-11(17)8-16-7-10(13)6-15-16/h6-7H,2-5,8-9,13H2,1H3,(H,14,17)
InChIKeyQIKWQYWJTMVIGK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.16
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide (PubChem CID 63822540) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
PubChem CID63822540
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
SMILESCC1(CNC(=O)Cn2cc(N)cn2)CCCC1
InChIInChI=1S/C12H20N4O/c1-12(4-2-3-5-12)9-14-11(17)8-16-7-10(13)6-15-16/h6-7H,2-5,8-9,13H2,1H3,(H,14,17)
InChIKeyQIKWQYWJTMVIGK-UHFFFAOYSA-N
XLogP1.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide (CID 63822540) is 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide is CC1(CNC(=O)Cn2cc(N)cn2)CCCC1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide?
The InChIKey is QIKWQYWJTMVIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(4-2-3-5-12)9-14-11(17)8-16-7-10(13)6-15-16/h6-7H,2-5,8-9,13H2,1H3,(H,14,17).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 63822540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).