N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide

C14H16ClN3O2 — CID 99836717

IUPACN-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide
SMILESCOC[C@H](NC(=O)c1cnn(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-18-8-11(7-16-18)14(19)17-13(9-20-2)10-3-5-12(15)6-4-10/h3-8,13H,9H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyAQYMUVQHVBKZKJ-ZDUSSCGKSA-N
MW293.75 g/mol
LogP2.19
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide

N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 99836717) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide
PubChem CID99836717
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide
SMILESCOC[C@H](NC(=O)c1cnn(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-18-8-11(7-16-18)14(19)17-13(9-20-2)10-3-5-12(15)6-4-10/h3-8,13H,9H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyAQYMUVQHVBKZKJ-ZDUSSCGKSA-N
XLogP2.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide (CID 99836717) is N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide is COC[C@H](NC(=O)c1cnn(C)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is AQYMUVQHVBKZKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-18-8-11(7-16-18)14(19)17-13(9-20-2)10-3-5-12(15)6-4-10/h3-8,13H,9H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide?
N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 99836717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).