5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile

C10H11N5 — CID 163954260

IUPAC5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(NC2=CC=CCC2)n[nH]c1N
InChIInChI=1S/C10H11N5/c11-6-8-9(12)14-15-10(8)13-7-4-2-1-3-5-7/h1-2,4H,3,5H2,(H4,12,13,14,15)
InChIKeySBYWZAIGKCPDKL-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.51
Rot. Bonds2

About 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile

5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile (PubChem CID 163954260) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile
PubChem CID163954260
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(NC2=CC=CCC2)n[nH]c1N
InChIInChI=1S/C10H11N5/c11-6-8-9(12)14-15-10(8)13-7-4-2-1-3-5-7/h1-2,4H,3,5H2,(H4,12,13,14,15)
InChIKeySBYWZAIGKCPDKL-UHFFFAOYSA-N
XLogP1.51
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-[(3-iodocyclohexa-1,5-dien-1-yl)methylamino]-1H-pyrazole-4-carbonitrile
CID 163875431

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile (CID 163954260) is 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile is N#Cc1c(NC2=CC=CCC2)n[nH]c1N.
What is the InChIKey of 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile?
The InChIKey is SBYWZAIGKCPDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-6-8-9(12)14-15-10(8)13-7-4-2-1-3-5-7/h1-2,4H,3,5H2,(H4,12,13,14,15).
What are the key properties of 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile?
5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclohexa-1,3-dien-1-ylamino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 163954260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).