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

C8H13N3O2 — CID 43532962

IUPACN-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCOCC(C)NC(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2/c1-6(5-13-2)11-8(12)7-3-9-10-4-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyORDXVHFFFQEERM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.17
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43532962) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID43532962
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCOCC(C)NC(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2/c1-6(5-13-2)11-8(12)7-3-9-10-4-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyORDXVHFFFQEERM-UHFFFAOYSA-N
XLogP0.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide (CID 43532962) is N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide is COCC(C)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is ORDXVHFFFQEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(5-13-2)11-8(12)7-3-9-10-4-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide?
N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43532962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).