3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile

C12H17N3 — CID 65401861

IUPAC3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(Cc2cnn(C)c2)C1
InChIInChI=1S/C12H17N3/c1-10-3-4-12(5-10,9-13)6-11-7-14-15(2)8-11/h7-8,10H,3-6H2,1-2H3
InChIKeyMVHTVQMELJXYDC-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.29
Rot. Bonds2

About 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile

3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile (PubChem CID 65401861) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile
PubChem CID65401861
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(Cc2cnn(C)c2)C1
InChIInChI=1S/C12H17N3/c1-10-3-4-12(5-10,9-13)6-11-7-14-15(2)8-11/h7-8,10H,3-6H2,1-2H3
InChIKeyMVHTVQMELJXYDC-UHFFFAOYSA-N
XLogP2.29
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile (CID 65401861) is 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile is CC1CCC(C#N)(Cc2cnn(C)c2)C1.
What is the InChIKey of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile?
The InChIKey is MVHTVQMELJXYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-3-4-12(5-10,9-13)6-11-7-14-15(2)8-11/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile?
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 65401861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).