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

C7H8N4 — CID 82417639

IUPAC3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1C1CC1
InChIInChI=1S/C7H8N4/c8-3-5-6(4-1-2-4)10-11-7(5)9/h4H,1-2H2,(H3,9,10,11)
InChIKeyNXJLXRLAWMGLCN-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.74
Rot. Bonds1

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

3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile (PubChem CID 82417639) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile
PubChem CID82417639
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1C1CC1
InChIInChI=1S/C7H8N4/c8-3-5-6(4-1-2-4)10-11-7(5)9/h4H,1-2H2,(H3,9,10,11)
InChIKeyNXJLXRLAWMGLCN-UHFFFAOYSA-N
XLogP0.74
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile (CID 82417639) is 3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1C1CC1.
What is the InChIKey of 3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile?
The InChIKey is NXJLXRLAWMGLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c8-3-5-6(4-1-2-4)10-11-7(5)9/h4H,1-2H2,(H3,9,10,11).
What are the key properties of 3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile?
3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile has a molecular weight of 148.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 82417639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).