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

C20H26N4O — CID 118304428

IUPAC3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnn(C)c2)cc1C1CC1NC1CCCC1
InChIInChI=1S/C20H26N4O/c1-13-7-8-14(20(25)23-16-11-21-24(2)12-16)9-17(13)18-10-19(18)22-15-5-3-4-6-15/h7-9,11-12,15,18-19,22H,3-6,10H2,1-2H3,(H,23,25)
InChIKeyASUDEGGRRXZPBC-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.37
Rot. Bonds5

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

3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 118304428) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID118304428
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnn(C)c2)cc1C1CC1NC1CCCC1
InChIInChI=1S/C20H26N4O/c1-13-7-8-14(20(25)23-16-11-21-24(2)12-16)9-17(13)18-10-19(18)22-15-5-3-4-6-15/h7-9,11-12,15,18-19,22H,3-6,10H2,1-2H3,(H,23,25)
InChIKeyASUDEGGRRXZPBC-UHFFFAOYSA-N
XLogP3.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide (CID 118304428) is 3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide is Cc1ccc(C(=O)Nc2cnn(C)c2)cc1C1CC1NC1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is ASUDEGGRRXZPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-7-8-14(20(25)23-16-11-21-24(2)12-16)9-17(13)18-10-19(18)22-15-5-3-4-6-15/h7-9,11-12,15,18-19,22H,3-6,10H2,1-2H3,(H,23,25).
What are the key properties of 3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide?
3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 338.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylamino)cyclopropyl]-4-methyl-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 118304428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).