3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide

C19H24N4O — CID 118304307

IUPAC3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnn(C)c2)cc1C1CC1NC1CCC1
InChIInChI=1S/C19H24N4O/c1-12-6-7-13(19(24)22-15-10-20-23(2)11-15)8-16(12)17-9-18(17)21-14-4-3-5-14/h6-8,10-11,14,17-18,21H,3-5,9H2,1-2H3,(H,22,24)
InChIKeyLRFIIFUPHNJTQZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.98
Rot. Bonds5

About 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide

3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 118304307) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID118304307
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnn(C)c2)cc1C1CC1NC1CCC1
InChIInChI=1S/C19H24N4O/c1-12-6-7-13(19(24)22-15-10-20-23(2)11-15)8-16(12)17-9-18(17)21-14-4-3-5-14/h6-8,10-11,14,17-18,21H,3-5,9H2,1-2H3,(H,22,24)
InChIKeyLRFIIFUPHNJTQZ-UHFFFAOYSA-N
XLogP2.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide (CID 118304307) is 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide is Cc1ccc(C(=O)Nc2cnn(C)c2)cc1C1CC1NC1CCC1.
What is the InChIKey of 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is LRFIIFUPHNJTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12-6-7-13(19(24)22-15-10-20-23(2)11-15)8-16(12)17-9-18(17)21-14-4-3-5-14/h6-8,10-11,14,17-18,21H,3-5,9H2,1-2H3,(H,22,24).
What are the key properties of 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide?
3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclobutylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 118304307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).