1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde

C14H16N2O2 — CID 61271244

IUPAC1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCCC2)nc1-c1ccco1
InChIInChI=1S/C14H16N2O2/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h4,7-10,12H,1-3,5-6H2
InChIKeySAVPOFMGAMUCQU-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.46
Rot. Bonds3

About 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde

1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde (PubChem CID 61271244) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
PubChem CID61271244
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCCC2)nc1-c1ccco1
InChIInChI=1S/C14H16N2O2/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h4,7-10,12H,1-3,5-6H2
InChIKeySAVPOFMGAMUCQU-UHFFFAOYSA-N
XLogP3.46
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-Methylfuran-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 818637
3-[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 876610
[3-(2-furyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 877185
3-[3-(1-benzofuran-2-yl)-4-formyl-1H-pyrazol-1-yl]propanoic acid
CID 895913
3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 976452
3-(2-furyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 977044
isopropyl 3-(2-furyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 2200688
3-(5-Methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 2412347
(1-{[3-(1-benzofuran-2-yl)-1-benzyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)methanol
CID 16187444
1-{[3-(1-benzofuran-2-yl)-1-benzyl-1H-pyrazol-4-yl]methyl}-4-(2-methoxyethoxy)piperidine
CID 16192444
[3-(5-Methyl-furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]-methanol
CID 882619
2-(4,5-Dihydrofuro[2,3-g]indazol-1-yl)acetic acid
CID 5309967

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde (CID 61271244) is 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde is O=Cc1cn(C2CCCCC2)nc1-c1ccco1.
What is the InChIKey of 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is SAVPOFMGAMUCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h4,7-10,12H,1-3,5-6H2.
What are the key properties of 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 61271244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).