2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile

C12H18N4 — CID 104586979

IUPAC2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile
SMILESCCn1nccc1CNC1CCCC1C#N
InChIInChI=1S/C12H18N4/c1-2-16-11(6-7-15-16)9-14-12-5-3-4-10(12)8-13/h6-7,10,12,14H,2-5,9H2,1H3
InChIKeyVMKXAHBCEWDVAN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.68
Rot. Bonds4

About 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile

2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 104586979) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile
PubChem CID104586979
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile
SMILESCCn1nccc1CNC1CCCC1C#N
InChIInChI=1S/C12H18N4/c1-2-16-11(6-7-15-16)9-14-12-5-3-4-10(12)8-13/h6-7,10,12,14H,2-5,9H2,1H3
InChIKeyVMKXAHBCEWDVAN-UHFFFAOYSA-N
XLogP1.68
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile (CID 104586979) is 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile is CCn1nccc1CNC1CCCC1C#N.
What is the InChIKey of 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is VMKXAHBCEWDVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-16-11(6-7-15-16)9-14-12-5-3-4-10(12)8-13/h6-7,10,12,14H,2-5,9H2,1H3.
What are the key properties of 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile?
2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 104586979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).