1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile

C10H11N5 — CID 114650287

IUPAC1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CCn1ccc(N)n1
InChIInChI=1S/C10H11N5/c11-8-9-2-1-4-14(9)6-7-15-5-3-10(12)13-15/h1-5H,6-7H2,(H2,12,13)
InChIKeyQEHMSLGIVAZZSF-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.84
Rot. Bonds3

About 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile

1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile (PubChem CID 114650287) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile
PubChem CID114650287
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CCn1ccc(N)n1
InChIInChI=1S/C10H11N5/c11-8-9-2-1-4-14(9)6-7-15-5-3-10(12)13-15/h1-5H,6-7H2,(H2,12,13)
InChIKeyQEHMSLGIVAZZSF-UHFFFAOYSA-N
XLogP0.84
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile (CID 114650287) is 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile is N#Cc1cccn1CCn1ccc(N)n1.
What is the InChIKey of 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile?
The InChIKey is QEHMSLGIVAZZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-8-9-2-1-4-14(9)6-7-15-5-3-10(12)13-15/h1-5H,6-7H2,(H2,12,13).
What are the key properties of 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile?
1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114650287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).