N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

C12H20ClN3O2 — CID 63398323

IUPACN-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCOCC(Cl)CN(C)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H20ClN3O2/c1-8-11(9(2)16(4)14-8)12(17)15(3)6-10(13)7-18-5/h10H,6-7H2,1-5H3
InChIKeyFSENOMAXUMILHH-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.36
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 63398323) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID63398323
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC NameN-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCOCC(Cl)CN(C)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H20ClN3O2/c1-8-11(9(2)16(4)14-8)12(17)15(3)6-10(13)7-18-5/h10H,6-7H2,1-5H3
InChIKeyFSENOMAXUMILHH-UHFFFAOYSA-N
XLogP1.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 55003284
N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
CID 63397918
4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 43151815
N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 111695079
N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 107206591
N-(2-chloro-3-methoxypropyl)-4-hydroxy-N-methylbenzamide
CID 63398005
ethyl (3S)-3-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoate
CID 124872087
ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 61021700
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 71976740
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629
N,1,3,5-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-4-carboxamide
CID 77089309

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (CID 63398323) is N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is COCC(Cl)CN(C)C(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is FSENOMAXUMILHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-8-11(9(2)16(4)14-8)12(17)15(3)6-10(13)7-18-5/h10H,6-7H2,1-5H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 273.76 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 63398323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).