1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile

C10H9N3 — CID 84765982

IUPAC1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile
SMILESC#CCn1cc(C2(C#N)CC2)cn1
InChIInChI=1S/C10H9N3/c1-2-5-13-7-9(6-12-13)10(8-11)3-4-10/h1,6-7H,3-5H2
InChIKeyOVPIGBMIAOZLNT-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.07
Rot. Bonds2

About 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile

1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile (PubChem CID 84765982) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile
PubChem CID84765982
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile
SMILESC#CCn1cc(C2(C#N)CC2)cn1
InChIInChI=1S/C10H9N3/c1-2-5-13-7-9(6-12-13)10(8-11)3-4-10/h1,6-7H,3-5H2
InChIKeyOVPIGBMIAOZLNT-UHFFFAOYSA-N
XLogP1.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile (CID 84765982) is 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile is C#CCn1cc(C2(C#N)CC2)cn1.
What is the InChIKey of 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile?
The InChIKey is OVPIGBMIAOZLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-5-13-7-9(6-12-13)10(8-11)3-4-10/h1,6-7H,3-5H2.
What are the key properties of 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile?
1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-ynylpyrazol-4-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84765982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).