5-amino-1-pent-3-ynylpyrazole-4-carbonitrile

C9H10N4 — CID 15190748

IUPAC5-amino-1-pent-3-ynylpyrazole-4-carbonitrile
SMILESCC#CCCn1ncc(C#N)c1N
InChIInChI=1S/C9H10N4/c1-2-3-4-5-13-9(11)8(6-10)7-12-13/h7H,4-5,11H2,1H3
InChIKeyIAYYLAATKYXFCT-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.75
Rot. Bonds2

About 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile

5-amino-1-pent-3-ynylpyrazole-4-carbonitrile (PubChem CID 15190748) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-pent-3-ynylpyrazole-4-carbonitrile
PubChem CID15190748
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-amino-1-pent-3-ynylpyrazole-4-carbonitrile
SMILESCC#CCCn1ncc(C#N)c1N
InChIInChI=1S/C9H10N4/c1-2-3-4-5-13-9(11)8(6-10)7-12-13/h7H,4-5,11H2,1H3
InChIKeyIAYYLAATKYXFCT-UHFFFAOYSA-N
XLogP0.75
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile (CID 15190748) is 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile is CC#CCCn1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile?
The InChIKey is IAYYLAATKYXFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-3-4-5-13-9(11)8(6-10)7-12-13/h7H,4-5,11H2,1H3.
What are the key properties of 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile?
5-amino-1-pent-3-ynylpyrazole-4-carbonitrile has a molecular weight of 174.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pent-3-ynylpyrazole-4-carbonitrile is sourced from PubChem (CID 15190748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).