cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide

C16H28N4O — CID 98870222

IUPACcis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)c1cnn(C(C)C)c1
InChIInChI=1S/C16H28N4O/c1-11(2)20-10-13(9-18-20)12(3)19-15-8-6-5-7-14(15)16(21)17-4/h9-12,14-15,19H,5-8H2,1-4H3,(H,17,21)/t12-,14-,15+/m1/s1
InChIKeyXGXGSMHOFSXGIM-YUELXQCFSA-N
MW292.43 g/mol
LogP2.42
Rot. Bonds5

About cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide

cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide (PubChem CID 98870222) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide
PubChem CID98870222
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Namecis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)c1cnn(C(C)C)c1
InChIInChI=1S/C16H28N4O/c1-11(2)20-10-13(9-18-20)12(3)19-15-8-6-5-7-14(15)16(21)17-4/h9-12,14-15,19H,5-8H2,1-4H3,(H,17,21)/t12-,14-,15+/m1/s1
InChIKeyXGXGSMHOFSXGIM-YUELXQCFSA-N
XLogP2.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide (CID 98870222) is cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide is CNC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)c1cnn(C(C)C)c1.
What is the InChIKey of cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide?
The InChIKey is XGXGSMHOFSXGIM-YUELXQCFSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)20-10-13(9-18-20)12(3)19-15-8-6-5-7-14(15)16(21)17-4/h9-12,14-15,19H,5-8H2,1-4H3,(H,17,21)/t12-,14-,15+/m1/s1.
What are the key properties of cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide?
cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 98870222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).