N-methylpyrazole-1-carboxamide;propane

C8H15N3O — CID 90891150

IUPACN-methylpyrazole-1-carboxamide;propane
SMILESCCC.CNC(=O)n1cccn1
InChIInChI=1S/C5H7N3O.C3H8/c1-6-5(9)8-4-2-3-7-8;1-3-2/h2-4H,1H3,(H,6,9);3H2,1-2H3
InChIKeyLWSGVEIYOJAQLZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.49
Rot. Bonds

About N-methylpyrazole-1-carboxamide;propane

N-methylpyrazole-1-carboxamide;propane (PubChem CID 90891150) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-methylpyrazole-1-carboxamide;propane.

Molecular Properties

Compound NameN-methylpyrazole-1-carboxamide;propane
PubChem CID90891150
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-methylpyrazole-1-carboxamide;propane
SMILESCCC.CNC(=O)n1cccn1
InChIInChI=1S/C5H7N3O.C3H8/c1-6-5(9)8-4-2-3-7-8;1-3-2/h2-4H,1H3,(H,6,9);3H2,1-2H3
InChIKeyLWSGVEIYOJAQLZ-UHFFFAOYSA-N
XLogP1.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134846837
N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide
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N-[2-(dimethylamino)ethyl]pyrazole-1-carboxamide
CID 141081181
N-(2-aminoethyl)pyrazole-1-carboxamide
CID 141081184
N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide
CID 141081208
methyl (Z)-3-pyrazol-1-yloct-2-enoate
CID 177479814
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
N-(4-fluorophenyl)pyrazole-1-carboxamide
CID 3631055
N-methyl-6-oxopyridazine-1-carboxamide
CID 141012448
2-(butylamino)-1-pyrazol-1-ylpropan-1-one
CID 141299758
(4-ethoxyphenyl)-pyrazol-1-ylmethanone
CID 3502430
tert-butyl N-(N-ethyl-C-pyrazol-1-ylcarbonimidoyl)carbamate
CID 178113267

Frequently Asked Questions

What is the IUPAC name of N-methylpyrazole-1-carboxamide;propane?
The IUPAC name of N-methylpyrazole-1-carboxamide;propane (CID 90891150) is N-methylpyrazole-1-carboxamide;propane.
What is the SMILES notation for N-methylpyrazole-1-carboxamide;propane?
The canonical SMILES for N-methylpyrazole-1-carboxamide;propane is CCC.CNC(=O)n1cccn1.
What is the InChIKey of N-methylpyrazole-1-carboxamide;propane?
The InChIKey is LWSGVEIYOJAQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C3H8/c1-6-5(9)8-4-2-3-7-8;1-3-2/h2-4H,1H3,(H,6,9);3H2,1-2H3.
What are the key properties of N-methylpyrazole-1-carboxamide;propane?
N-methylpyrazole-1-carboxamide;propane has a molecular weight of 169.23 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyrazole-1-carboxamide;propane is sourced from PubChem (CID 90891150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).