1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide

C10H15IN4O — CID 79637306

IUPAC1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(n2cc(I)cn2)C1
InChIInChI=1S/C10H15IN4O/c11-7-5-14-15(6-7)8-2-1-3-10(13,4-8)9(12)16/h5-6,8H,1-4,13H2,(H2,12,16)
InChIKeyYCLKELYPCOFQPQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.79
Rot. Bonds2

About 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide

1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 79637306) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID79637306
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(n2cc(I)cn2)C1
InChIInChI=1S/C10H15IN4O/c11-7-5-14-15(6-7)8-2-1-3-10(13,4-8)9(12)16/h5-6,8H,1-4,13H2,(H2,12,16)
InChIKeyYCLKELYPCOFQPQ-UHFFFAOYSA-N
XLogP0.79
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(4-methylpyrazol-1-yl)cyclohexane-1-carboxamide
CID 79637821
3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79638137
3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637304
1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide
CID 79648337
1-amino-3-indazol-1-ylcyclohexane-1-carboxamide
CID 79637456
3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625083
ethyl 3-(4-iodopyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649106
1-amino-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide
CID 79650821
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
CID 79634834
3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79637451
3-(4-iodopyrazol-1-yl)azetidine-1-carboxylic acid
CID 66867994
1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide
CID 79637457

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide (CID 79637306) is 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide is NC(=O)C1(N)CCCC(n2cc(I)cn2)C1.
What is the InChIKey of 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is YCLKELYPCOFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c11-7-5-14-15(6-7)8-2-1-3-10(13,4-8)9(12)16/h5-6,8H,1-4,13H2,(H2,12,16).
What are the key properties of 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide?
1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-iodopyrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).