(5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide

C15H20ClN3O — CID 98159930

IUPAC(5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)n1
InChIInChI=1S/C15H20ClN3O/c1-19-3-2-12(18-19)17-13(20)14-5-10-4-11(6-14)8-15(16,7-10)9-14/h2-3,10-11H,4-9H2,1H3,(H,17,18,20)/t10-,11-,14?,15?/m1/s1
InChIKeyOQPWZEIRKWIHEW-ASNHAOSHSA-N
MW293.80 g/mol
LogP2.94
Rot. Bonds2

About (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide

(5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide (PubChem CID 98159930) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
PubChem CID98159930
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name(5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)n1
InChIInChI=1S/C15H20ClN3O/c1-19-3-2-12(18-19)17-13(20)14-5-10-4-11(6-14)8-15(16,7-10)9-14/h2-3,10-11H,4-9H2,1H3,(H,17,18,20)/t10-,11-,14?,15?/m1/s1
InChIKeyOQPWZEIRKWIHEW-ASNHAOSHSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(1-adamantyl)-N-(1-methylpyrazol-3-yl)but-2-enamide
CID 51126115
3-chloro-N-(3,4-dimethylphenyl)adamantane-1-carboxamide
CID 42906238
(5R,7R)-3-chloro-N-(4-methylsulfonylphenyl)adamantane-1-carboxamide
CID 98349263
(5S,7R)-3-chloro-N-(5-chloro-2-fluorophenyl)adamantane-1-carboxamide
CID 8759479
(5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide
CID 7946875
(5S,7R)-3-chloro-N-[(4-methylphenyl)methyl]adamantane-1-carboxamide
CID 7916897
(5S,7R)-3-chloro-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide
CID 872072
(5R,7R)-3-chloro-N-(2-chloro-4,6-dimethylphenyl)adamantane-1-carboxamide
CID 98385692
(5S,7R)-3-chloro-N-(4-phenyldiazenylphenyl)adamantane-1-carboxamide
CID 7927093
(5S,7R)-3-chloro-N-(4-phenoxyphenyl)adamantane-1-carboxamide
CID 7914982
(5S,7R)-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 7924337
(5S,7R)-3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 7948017

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The IUPAC name of (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide (CID 98159930) is (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The canonical SMILES for (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide is Cn1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)n1.
What is the InChIKey of (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The InChIKey is OQPWZEIRKWIHEW-ASNHAOSHSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-19-3-2-12(18-19)17-13(20)14-5-10-4-11(6-14)8-15(16,7-10)9-14/h2-3,10-11H,4-9H2,1H3,(H,17,18,20)/t10-,11-,14?,15?/m1/s1.
What are the key properties of (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
(5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide has a molecular weight of 293.80 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-3-chloro-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 98159930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).