N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide

C18H31N3O2 — CID 70727270

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide
SMILESCCCN(C(=O)c1cc(CC(C)C)nn1C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C18H31N3O2/c1-5-10-21(15-8-6-7-9-17(15)22)18(23)16-12-14(11-13(2)3)19-20(16)4/h12-13,15,17,22H,5-11H2,1-4H3/t15-,17-/m1/s1
InChIKeyMAWUWLLJZKROHM-NVXWUHKLSA-N
MW321.47 g/mol
LogP2.77
Rot. Bonds6

About N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide (PubChem CID 70727270) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide
PubChem CID70727270
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide
SMILESCCCN(C(=O)c1cc(CC(C)C)nn1C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C18H31N3O2/c1-5-10-21(15-8-6-7-9-17(15)22)18(23)16-12-14(11-13(2)3)19-20(16)4/h12-13,15,17,22H,5-11H2,1-4H3/t15-,17-/m1/s1
InChIKeyMAWUWLLJZKROHM-NVXWUHKLSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide (CID 70727270) is N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide is CCCN(C(=O)c1cc(CC(C)C)nn1C)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide?
The InChIKey is MAWUWLLJZKROHM-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-10-21(15-8-6-7-9-17(15)22)18(23)16-12-14(11-13(2)3)19-20(16)4/h12-13,15,17,22H,5-11H2,1-4H3/t15-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-3-(2-methylpropyl)-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70727270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).