N-[1-(1-methylpyrazol-4-yl)ethyl]formamide

C7H11N3O — CID 130520642

IUPACN-[1-(1-methylpyrazol-4-yl)ethyl]formamide
SMILESCC(NC=O)c1cnn(C)c1
InChIInChI=1S/C7H11N3O/c1-6(8-5-11)7-3-9-10(2)4-7/h3-6H,1-2H3,(H,8,11)
InChIKeyNJKMHHAHXKPPAO-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.23
Rot. Bonds3

About N-[1-(1-methylpyrazol-4-yl)ethyl]formamide

N-[1-(1-methylpyrazol-4-yl)ethyl]formamide (PubChem CID 130520642) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)ethyl]formamide
PubChem CID130520642
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-[1-(1-methylpyrazol-4-yl)ethyl]formamide
SMILESCC(NC=O)c1cnn(C)c1
InChIInChI=1S/C7H11N3O/c1-6(8-5-11)7-3-9-10(2)4-7/h3-6H,1-2H3,(H,8,11)
InChIKeyNJKMHHAHXKPPAO-UHFFFAOYSA-N
XLogP0.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(1-methylpyrazol-4-yl)ethyl]formamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]formamide (CID 130520642) is N-[1-(1-methylpyrazol-4-yl)ethyl]formamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)ethyl]formamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)ethyl]formamide is CC(NC=O)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)ethyl]formamide?
The InChIKey is NJKMHHAHXKPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6(8-5-11)7-3-9-10(2)4-7/h3-6H,1-2H3,(H,8,11).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)ethyl]formamide?
N-[1-(1-methylpyrazol-4-yl)ethyl]formamide has a molecular weight of 153.18 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)ethyl]formamide is sourced from PubChem (CID 130520642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).