3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide

C9H11N5O2 — CID 175923690

IUPAC3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccn[nH]2)n(C)n1
InChIInChI=1S/C9H11N5O2/c1-14-6(5-8(13-14)16-2)9(15)11-7-3-4-10-12-7/h3-5H,1-2H3,(H2,10,11,12,15)
InChIKeyHWDWHRYSDHNAPP-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.40
Rot. Bonds3

About 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide

3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (PubChem CID 175923690) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
PubChem CID175923690
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccn[nH]2)n(C)n1
InChIInChI=1S/C9H11N5O2/c1-14-6(5-8(13-14)16-2)9(15)11-7-3-4-10-12-7/h3-5H,1-2H3,(H2,10,11,12,15)
InChIKeyHWDWHRYSDHNAPP-UHFFFAOYSA-N
XLogP0.40
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (CID 175923690) is 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide is COc1cc(C(=O)Nc2ccn[nH]2)n(C)n1.
What is the InChIKey of 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The InChIKey is HWDWHRYSDHNAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-14-6(5-8(13-14)16-2)9(15)11-7-3-4-10-12-7/h3-5H,1-2H3,(H2,10,11,12,15).
What are the key properties of 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 175923690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).