N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide

C9H10N4O — CID 167521744

IUPACN-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide
SMILESN#CC(NC=O)c1cnn2c1CCC2
InChIInChI=1S/C9H10N4O/c10-4-8(11-6-14)7-5-12-13-3-1-2-9(7)13/h5-6,8H,1-3H2,(H,11,14)
InChIKeySYIUMFAOELCWBD-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.14
Rot. Bonds3

About N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide

N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide (PubChem CID 167521744) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide
PubChem CID167521744
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameN-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide
SMILESN#CC(NC=O)c1cnn2c1CCC2
InChIInChI=1S/C9H10N4O/c10-4-8(11-6-14)7-5-12-13-3-1-2-9(7)13/h5-6,8H,1-3H2,(H,11,14)
InChIKeySYIUMFAOELCWBD-UHFFFAOYSA-N
XLogP0.14
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide?
The IUPAC name of N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide (CID 167521744) is N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide.
What is the SMILES notation for N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide?
The canonical SMILES for N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide is N#CC(NC=O)c1cnn2c1CCC2.
What is the InChIKey of N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide?
The InChIKey is SYIUMFAOELCWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-4-8(11-6-14)7-5-12-13-3-1-2-9(7)13/h5-6,8H,1-3H2,(H,11,14).
What are the key properties of N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide?
N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide has a molecular weight of 190.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide is sourced from PubChem (CID 167521744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).