N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide

C9H15N3O2 — CID 102700145

IUPACN-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOC(C)CNC(=O)c1cn[nH]c1C
InChIInChI=1S/C9H15N3O2/c1-6(14-3)4-10-9(13)8-5-11-12-7(8)2/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyBKGNWDIGELIUKD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.48
Rot. Bonds4

About N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 102700145) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID102700145
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOC(C)CNC(=O)c1cn[nH]c1C
InChIInChI=1S/C9H15N3O2/c1-6(14-3)4-10-9(13)8-5-11-12-7(8)2/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyBKGNWDIGELIUKD-UHFFFAOYSA-N
XLogP0.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 102700145) is N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide is COC(C)CNC(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is BKGNWDIGELIUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(14-3)4-10-9(13)8-5-11-12-7(8)2/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 102700145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).