N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide

C14H14ClN3O2 — CID 917602

IUPACN-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide
SMILESCc1ccn(C(=O)CCC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C14H14ClN3O2/c1-10-8-9-18(17-10)14(20)7-6-13(19)16-12-5-3-2-4-11(12)15/h2-5,8-9H,6-7H2,1H3,(H,16,19)
InChIKeyMUOFLORWRJGYJA-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.90
Rot. Bonds4

About N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide

N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide (PubChem CID 917602) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide
PubChem CID917602
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide
SMILESCc1ccn(C(=O)CCC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C14H14ClN3O2/c1-10-8-9-18(17-10)14(20)7-6-13(19)16-12-5-3-2-4-11(12)15/h2-5,8-9H,6-7H2,1H3,(H,16,19)
InChIKeyMUOFLORWRJGYJA-UHFFFAOYSA-N
XLogP2.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide (CID 917602) is N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide is Cc1ccn(C(=O)CCC(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide?
The InChIKey is MUOFLORWRJGYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-10-8-9-18(17-10)14(20)7-6-13(19)16-12-5-3-2-4-11(12)15/h2-5,8-9H,6-7H2,1H3,(H,16,19).
What are the key properties of N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide?
N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide has a molecular weight of 291.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 917602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).