2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide

C19H24BrN5O2 — CID 162654865

IUPAC2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)C(NC(=O)Nc1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C19H24BrN5O2/c1-12-16(11-25(2)24-12)22-18(26)17(13-5-3-4-6-13)23-19(27)21-15-9-7-14(20)8-10-15/h7-11,13,17H,3-6H2,1-2H3,(H,22,26)(H2,21,23,27)
InChIKeyPTVOLBGLDYQURD-UHFFFAOYSA-N
MW434.34 g/mol
LogP3.81
Rot. Bonds5

About 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide

2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 162654865) has the molecular formula C19H24BrN5O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID162654865
Molecular FormulaC19H24BrN5O2
Molecular Weight434.34 g/mol
Exact Mass433.11
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)C(NC(=O)Nc1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C19H24BrN5O2/c1-12-16(11-25(2)24-12)22-18(26)17(13-5-3-4-6-13)23-19(27)21-15-9-7-14(20)8-10-15/h7-11,13,17H,3-6H2,1-2H3,(H,22,26)(H2,21,23,27)
InChIKeyPTVOLBGLDYQURD-UHFFFAOYSA-N
XLogP3.81
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide (CID 162654865) is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide is Cc1nn(C)cc1NC(=O)C(NC(=O)Nc1ccc(Br)cc1)C1CCCC1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is PTVOLBGLDYQURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O2/c1-12-16(11-25(2)24-12)22-18(26)17(13-5-3-4-6-13)23-19(27)21-15-9-7-14(20)8-10-15/h7-11,13,17H,3-6H2,1-2H3,(H,22,26)(H2,21,23,27).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide?
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 434.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 162654865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).