N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide

C9H15N3O2 — CID 60959742

IUPACN-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-7(6-14-3)12(2)9(13)8-4-10-11-5-8/h4-5,7H,6H2,1-3H3,(H,10,11)
InChIKeyFSZOVHCRYWIWHZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.52
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide

N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 60959742) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID60959742
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-7(6-14-3)12(2)9(13)8-4-10-11-5-8/h4-5,7H,6H2,1-3H3,(H,10,11)
InChIKeyFSZOVHCRYWIWHZ-UHFFFAOYSA-N
XLogP0.52
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide (CID 60959742) is N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide is COCC(C)N(C)C(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is FSZOVHCRYWIWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(6-14-3)12(2)9(13)8-4-10-11-5-8/h4-5,7H,6H2,1-3H3,(H,10,11).
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide?
N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60959742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).