2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile

C10H14N4 — CID 79778379

IUPAC2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile
SMILESCn1ccc(NC2CCCC2C#N)n1
InChIInChI=1S/C10H14N4/c1-14-6-5-10(13-14)12-9-4-2-3-8(9)7-11/h5-6,8-9H,2-4H2,1H3,(H,12,13)
InChIKeyCFKWXEFLFIGJQA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.52
Rot. Bonds2

About 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile

2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile (PubChem CID 79778379) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile
PubChem CID79778379
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile
SMILESCn1ccc(NC2CCCC2C#N)n1
InChIInChI=1S/C10H14N4/c1-14-6-5-10(13-14)12-9-4-2-3-8(9)7-11/h5-6,8-9H,2-4H2,1H3,(H,12,13)
InChIKeyCFKWXEFLFIGJQA-UHFFFAOYSA-N
XLogP1.52
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile (CID 79778379) is 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile is Cn1ccc(NC2CCCC2C#N)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile?
The InChIKey is CFKWXEFLFIGJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-14-6-5-10(13-14)12-9-4-2-3-8(9)7-11/h5-6,8-9H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile?
2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79778379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).