N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide

C13H24ClN3O2 — CID 169248405

IUPACN-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide
SMILESCN1CCC(C(=O)NC(CO)[C@@H]2CCCC(Cl)C2)N1
InChIInChI=1S/C13H24ClN3O2/c1-17-6-5-11(16-17)13(19)15-12(8-18)9-3-2-4-10(14)7-9/h9-12,16,18H,2-8H2,1H3,(H,15,19)/t9-,10?,11?,12?/m1/s1
InChIKeyIGTUEXGUFXMMFB-QBWABLMJSA-N
MW289.81 g/mol
LogP0.47
Rot. Bonds4

About N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide

N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide (PubChem CID 169248405) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide
PubChem CID169248405
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC NameN-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide
SMILESCN1CCC(C(=O)NC(CO)[C@@H]2CCCC(Cl)C2)N1
InChIInChI=1S/C13H24ClN3O2/c1-17-6-5-11(16-17)13(19)15-12(8-18)9-3-2-4-10(14)7-9/h9-12,16,18H,2-8H2,1H3,(H,15,19)/t9-,10?,11?,12?/m1/s1
InChIKeyIGTUEXGUFXMMFB-QBWABLMJSA-N
XLogP0.47
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid
CID 90307661
7-methyl-N-[1-(1-methylpyrazolidin-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147438079
(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane
CID 134343911
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
N-(2-amino-1-cyclohexylethyl)-1-methylpiperidine-4-carboxamide
CID 119591982
bis(3-chlorocyclohexyl)methanamine
CID 141387769
N-[(1S)-1-cyclobutyl-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide
CID 153308928
N-[(1R)-2-[4-(4-chlorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-1-cyclopropylethyl]-3-(hydroxymethyl)cyclohexane-1-carboxamide;methane;trihydrate
CID 159730750
1-(1-hydroxypropan-2-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508639
2-(3-chlorocyclohexyl)tetradecanoic acid
CID 57003487
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119588926
methyl (3S)-3-amino-3-(3-methylcyclohexyl)propanoate
CID 104941132

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide (CID 169248405) is N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide is CN1CCC(C(=O)NC(CO)[C@@H]2CCCC(Cl)C2)N1.
What is the InChIKey of N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide?
The InChIKey is IGTUEXGUFXMMFB-QBWABLMJSA-N. The full InChI is InChI=1S/C13H24ClN3O2/c1-17-6-5-11(16-17)13(19)15-12(8-18)9-3-2-4-10(14)7-9/h9-12,16,18H,2-8H2,1H3,(H,15,19)/t9-,10?,11?,12?/m1/s1.
What are the key properties of N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide?
N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide has a molecular weight of 289.81 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R)-3-chlorocyclohexyl]-2-hydroxyethyl]-1-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 169248405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).