N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide

C9H15N3O2 — CID 145188140

IUPACN-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide
SMILESCCOc1cnn(C(C)C)c1NC=O
InChIInChI=1S/C9H15N3O2/c1-4-14-8-5-11-12(7(2)3)9(8)10-6-13/h5-7H,4H2,1-3H3,(H,10,13)
InChIKeyXLNBGKBWODGKLP-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.43
Rot. Bonds5

About N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide

N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide (PubChem CID 145188140) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide.

Molecular Properties

Compound NameN-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide
PubChem CID145188140
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide
SMILESCCOc1cnn(C(C)C)c1NC=O
InChIInChI=1S/C9H15N3O2/c1-4-14-8-5-11-12(7(2)3)9(8)10-6-13/h5-7H,4H2,1-3H3,(H,10,13)
InChIKeyXLNBGKBWODGKLP-UHFFFAOYSA-N
XLogP1.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.43
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-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide?
The IUPAC name of N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide (CID 145188140) is N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide.
What is the SMILES notation for N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide?
The canonical SMILES for N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide is CCOc1cnn(C(C)C)c1NC=O.
What is the InChIKey of N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide?
The InChIKey is XLNBGKBWODGKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-14-8-5-11-12(7(2)3)9(8)10-6-13/h5-7H,4H2,1-3H3,(H,10,13).
What are the key properties of N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide?
N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide has a molecular weight of 197.24 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1-propan-2-ylpyrazol-5-yl)formamide is sourced from PubChem (CID 145188140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).