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

C12H17IN4O — CID 79648337

IUPAC1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC(n2cc(I)cn2)C1
InChIInChI=1S/C12H17IN4O/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)
InChIKeyCVAVCDUPCFMBKQ-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.19
Rot. Bonds4

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

1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide (PubChem CID 79648337) has the molecular formula C12H17IN4O and a molecular weight of 360.20 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide
PubChem CID79648337
Molecular FormulaC12H17IN4O
Molecular Weight360.20 g/mol
Exact Mass360.04
IUPAC Name1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC(n2cc(I)cn2)C1
InChIInChI=1S/C12H17IN4O/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)
InChIKeyCVAVCDUPCFMBKQ-UHFFFAOYSA-N
XLogP1.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide (CID 79648337) is 1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide is NC(=O)C1(NC2CC2)CCC(n2cc(I)cn2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide?
The InChIKey is CVAVCDUPCFMBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN4O/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 1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide?
1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide has a molecular weight of 360.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79648337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).