2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide

C12H20N4O — CID 63630834

IUPAC2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide
SMILESCN(CC1CCCC1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H20N4O/c1-15(8-10-4-2-3-5-10)12(17)9-16-7-6-11(13)14-16/h6-7,10H,2-5,8-9H2,1H3,(H2,13,14)
InChIKeyFJOGPPKIIWJWBM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.11
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide

2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide (PubChem CID 63630834) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide
PubChem CID63630834
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide
SMILESCN(CC1CCCC1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H20N4O/c1-15(8-10-4-2-3-5-10)12(17)9-16-7-6-11(13)14-16/h6-7,10H,2-5,8-9H2,1H3,(H2,13,14)
InChIKeyFJOGPPKIIWJWBM-UHFFFAOYSA-N
XLogP1.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide (CID 63630834) is 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide is CN(CC1CCCC1)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide?
The InChIKey is FJOGPPKIIWJWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(8-10-4-2-3-5-10)12(17)9-16-7-6-11(13)14-16/h6-7,10H,2-5,8-9H2,1H3,(H2,13,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide?
2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide has a molecular weight of 236.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide is sourced from PubChem (CID 63630834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).