3-amino-5-phenyl-1H-pyrazole-4-carbonitrile

C10H8N4 — CID 11229173

IUPAC3-amino-5-phenyl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccccc1
InChIInChI=1S/C10H8N4/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,(H3,12,13,14)
InChIKeyPGZXQQILVKKFAU-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.53
Rot. Bonds1

About 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile

3-amino-5-phenyl-1H-pyrazole-4-carbonitrile (PubChem CID 11229173) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-phenyl-1H-pyrazole-4-carbonitrile
PubChem CID11229173
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name3-amino-5-phenyl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccccc1
InChIInChI=1S/C10H8N4/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,(H3,12,13,14)
InChIKeyPGZXQQILVKKFAU-UHFFFAOYSA-N
XLogP1.53
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile (CID 11229173) is 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1-c1ccccc1.
What is the InChIKey of 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile?
The InChIKey is PGZXQQILVKKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,(H3,12,13,14).
What are the key properties of 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile?
3-amino-5-phenyl-1H-pyrazole-4-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 11229173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).