N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide

C18H30N4O2 — CID 110128017

IUPACN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
SMILESCN(C(=O)CCc1ccnn1C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C18H30N4O2/c1-20(17(23)9-8-14-10-11-19-21(14)2)15-6-5-7-16(18(15)24)22-12-3-4-13-22/h10-11,15-16,18,24H,3-9,12-13H2,1-2H3/t15-,16-,18-/m1/s1
InChIKeyLIHPUAZTNYRSAB-JFIYKMOQSA-N
MW334.46 g/mol
LogP1.19
Rot. Bonds5

About N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide

N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 110128017) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID110128017
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
SMILESCN(C(=O)CCc1ccnn1C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C18H30N4O2/c1-20(17(23)9-8-14-10-11-19-21(14)2)15-6-5-7-16(18(15)24)22-12-3-4-13-22/h10-11,15-16,18,24H,3-9,12-13H2,1-2H3/t15-,16-,18-/m1/s1
InChIKeyLIHPUAZTNYRSAB-JFIYKMOQSA-N
XLogP1.19
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide (CID 110128017) is N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide is CN(C(=O)CCc1ccnn1C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is LIHPUAZTNYRSAB-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-20(17(23)9-8-14-10-11-19-21(14)2)15-6-5-7-16(18(15)24)22-12-3-4-13-22/h10-11,15-16,18,24H,3-9,12-13H2,1-2H3/t15-,16-,18-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide?
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 110128017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).