2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile

C11H17IN4 — CID 64725360

IUPAC2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)n1cc(I)cn1
InChIInChI=1S/C11H17IN4/c1-4-14-11(3,8-13)5-9(2)16-7-10(12)6-15-16/h6-7,9,14H,4-5H2,1-3H3
InChIKeyFUXNDVFGJINMFQ-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.33
Rot. Bonds5

About 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile

2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile (PubChem CID 64725360) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile
PubChem CID64725360
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)n1cc(I)cn1
InChIInChI=1S/C11H17IN4/c1-4-14-11(3,8-13)5-9(2)16-7-10(12)6-15-16/h6-7,9,14H,4-5H2,1-3H3
InChIKeyFUXNDVFGJINMFQ-UHFFFAOYSA-N
XLogP2.33
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclopropylamino)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]hexanenitrile
CID 64176941
2-(Ethylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]butanenitrile
CID 64176943
2-Methyl-2-(methylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]butanenitrile
CID 64177111
2-(Ethylamino)-2-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]butanenitrile
CID 64177112
2-(Ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanenitrile
CID 64177113
2-Methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanenitrile
CID 64177286
2-Methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexanenitrile
CID 64177287
2-Amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanenitrile
CID 64177453
2-Methyl-2-(propan-2-ylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]butanenitrile
CID 64177455
2-Methyl-2-(propylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]butanenitrile
CID 64177633
2-(Cyclopropylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanenitrile
CID 64177787
2-(Cyclopropylamino)-2-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]butanenitrile
CID 64177950

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile (CID 64725360) is 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)n1cc(I)cn1.
What is the InChIKey of 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile?
The InChIKey is FUXNDVFGJINMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-4-14-11(3,8-13)5-9(2)16-7-10(12)6-15-16/h6-7,9,14H,4-5H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile?
2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile has a molecular weight of 332.19 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile is sourced from PubChem (CID 64725360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).