3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide

C12H17BrN4O — CID 79651042

IUPAC3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C12H17BrN4O/c13-8-6-15-17(7-8)10-3-4-12(5-10,11(14)18)16-9-1-2-9/h6-7,9-10,16H,1-5H2,(H2,14,18)
InChIKeyYAOVZBYGQKYBTK-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.35
Rot. Bonds4

About 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide

3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide (PubChem CID 79651042) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
PubChem CID79651042
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C12H17BrN4O/c13-8-6-15-17(7-8)10-3-4-12(5-10,11(14)18)16-9-1-2-9/h6-7,9-10,16H,1-5H2,(H2,14,18)
InChIKeyYAOVZBYGQKYBTK-UHFFFAOYSA-N
XLogP1.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide (CID 79651042) is 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide is NC(=O)C1(NC2CC2)CCC(n2cc(Br)cn2)C1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The InChIKey is YAOVZBYGQKYBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c13-8-6-15-17(7-8)10-3-4-12(5-10,11(14)18)16-9-1-2-9/h6-7,9-10,16H,1-5H2,(H2,14,18).
What are the key properties of 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide?
3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79651042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).