3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide

C12H20N4O — CID 66031864

IUPAC3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C12H20N4O/c1-8(2)16-11(5-6-14-16)15-12(17)9-3-4-10(13)7-9/h5-6,8-10H,3-4,7,13H2,1-2H3,(H,15,17)
InChIKeyLLWHTFRUORTXIK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.53
Rot. Bonds3

About 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide

3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 66031864) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
PubChem CID66031864
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C12H20N4O/c1-8(2)16-11(5-6-14-16)15-12(17)9-3-4-10(13)7-9/h5-6,8-10H,3-4,7,13H2,1-2H3,(H,15,17)
InChIKeyLLWHTFRUORTXIK-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide (CID 66031864) is 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide is CC(C)n1nccc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is LLWHTFRUORTXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)16-11(5-6-14-16)15-12(17)9-3-4-10(13)7-9/h5-6,8-10H,3-4,7,13H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide?
3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66031864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).