N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide

C15H21N3O2 — CID 71808509

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCn1nc(CNC(=O)C2CC=CCC2)c2c1CCOC2
InChIInChI=1S/C15H21N3O2/c1-18-14-7-8-20-10-12(14)13(17-18)9-16-15(19)11-5-3-2-4-6-11/h2-3,11H,4-10H2,1H3,(H,16,19)
InChIKeyIZEQNZQCXBWAKI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.47
Rot. Bonds3

About N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71808509) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID71808509
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCn1nc(CNC(=O)C2CC=CCC2)c2c1CCOC2
InChIInChI=1S/C15H21N3O2/c1-18-14-7-8-20-10-12(14)13(17-18)9-16-15(19)11-5-3-2-4-6-11/h2-3,11H,4-10H2,1H3,(H,16,19)
InChIKeyIZEQNZQCXBWAKI-UHFFFAOYSA-N
XLogP1.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

1-Cyclohexyl-3-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)urea
CID 71808522
methyl (2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)carbamate
CID 72718811
N-(2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)cyclobutanecarboxamide
CID 72718813
1-methyl-N-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71808464
N-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71808500
2-ethoxy-N-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)acetamide
CID 72718825
N-((1-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 86264431
N-[(1-cyclopentyl-5-oxa-1,2-diaza-1,4,6,7-tetrahydro-3-indenyl)methyl](R)-2-phenylbutyramide
CID 99874155
N-(2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)propionamide
CID 72718810
1-{1-Ethyl-1H,4H,6H,7H-pyrano[4,3-C]pyrazole-3-carbonyl}piperidine
CID 132427918
N,1-dimethyl-N-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide
CID 132427925
1-Methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]-1H,4H,6H,7H-pyrano[4,3-C]pyrazole-3-carboxamide
CID 132428308

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 71808509) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is Cn1nc(CNC(=O)C2CC=CCC2)c2c1CCOC2.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is IZEQNZQCXBWAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-14-7-8-20-10-12(14)13(17-18)9-16-15(19)11-5-3-2-4-6-11/h2-3,11H,4-10H2,1H3,(H,16,19).
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71808509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).