(1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide

C14H20N4O2 — CID 122569856

IUPAC(1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)n1
InChIInChI=1S/C14H20N4O2/c1-9-7-10(2)18(17-9)8-13(19)16-12-6-4-3-5-11(12)14(15)20/h3-4,7,11-12H,5-6,8H2,1-2H3,(H2,15,20)(H,16,19)/t11-,12-/m1/s1
InChIKeyKOBZRRXVXHSWDJ-VXGBXAGGSA-N
MW276.34 g/mol
LogP0.44
Rot. Bonds4

About (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide

(1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide (PubChem CID 122569856) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide
PubChem CID122569856
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)n1
InChIInChI=1S/C14H20N4O2/c1-9-7-10(2)18(17-9)8-13(19)16-12-6-4-3-5-11(12)14(15)20/h3-4,7,11-12H,5-6,8H2,1-2H3,(H2,15,20)(H,16,19)/t11-,12-/m1/s1
InChIKeyKOBZRRXVXHSWDJ-VXGBXAGGSA-N
XLogP0.44
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

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CID 66185586
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CID 110125512
2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119449670
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
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CID 45148400
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
2-(3,5-dimethylpyrazol-1-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986083
(1R,6R)-6-[(6-methyl-2-propylpyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide
CID 122558492
N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43648264
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide (CID 122569856) is (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide is Cc1cc(C)n(CC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)n1.
What is the InChIKey of (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide?
The InChIKey is KOBZRRXVXHSWDJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-7-10(2)18(17-9)8-13(19)16-12-6-4-3-5-11(12)14(15)20/h3-4,7,11-12H,5-6,8H2,1-2H3,(H2,15,20)(H,16,19)/t11-,12-/m1/s1.
What are the key properties of (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide?
(1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 122569856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).