N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide

C11H16N4O — CID 79524532

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
SMILESCn1ncc(CNC(=O)C2CC=CC2)c1N
InChIInChI=1S/C11H16N4O/c1-15-10(12)9(7-14-15)6-13-11(16)8-4-2-3-5-8/h2-3,7-8H,4-6,12H2,1H3,(H,13,16)
InChIKeyMFUREVLULIYGGZ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.58
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 79524532) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
PubChem CID79524532
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
SMILESCn1ncc(CNC(=O)C2CC=CC2)c1N
InChIInChI=1S/C11H16N4O/c1-15-10(12)9(7-14-15)6-13-11(16)8-4-2-3-5-8/h2-3,7-8H,4-6,12H2,1H3,(H,13,16)
InChIKeyMFUREVLULIYGGZ-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide (CID 79524532) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide is Cn1ncc(CNC(=O)C2CC=CC2)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is MFUREVLULIYGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15-10(12)9(7-14-15)6-13-11(16)8-4-2-3-5-8/h2-3,7-8H,4-6,12H2,1H3,(H,13,16).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 79524532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).