N-methyl-1H-pyrazole-4-carboxamide;propane

C8H15N3O — CID 155700970

IUPACN-methyl-1H-pyrazole-4-carboxamide;propane
SMILESCCC.CNC(=O)c1cn[nH]c1
InChIInChI=1S/C5H7N3O.C3H8/c1-6-5(9)4-2-7-8-3-4;1-3-2/h2-3H,1H3,(H,6,9)(H,7,8);3H2,1-2H3
InChIKeyGJOODEKVOQBJJN-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.19
Rot. Bonds1

About N-methyl-1H-pyrazole-4-carboxamide;propane

N-methyl-1H-pyrazole-4-carboxamide;propane (PubChem CID 155700970) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-methyl-1H-pyrazole-4-carboxamide;propane.

Molecular Properties

Compound NameN-methyl-1H-pyrazole-4-carboxamide;propane
PubChem CID155700970
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-methyl-1H-pyrazole-4-carboxamide;propane
SMILESCCC.CNC(=O)c1cn[nH]c1
InChIInChI=1S/C5H7N3O.C3H8/c1-6-5(9)4-2-7-8-3-4;1-3-2/h2-3H,1H3,(H,6,9)(H,7,8);3H2,1-2H3
InChIKeyGJOODEKVOQBJJN-UHFFFAOYSA-N
XLogP1.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
CID 22925181
1-(1H-pyrazol-4-yl)propan-1-one
CID 59363533
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
CID 130661028
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-methyl-1-(1H-pyrazol-4-yl)ethenamine
CID 134288911
N-[3-(chloromethyl)pentan-3-yl]-1H-pyrazole-4-carboxamide
CID 114304571
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661
N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
CID 22925257
ethyl 3-oxo-3-(1H-pyrazol-4-yl)propanoate
CID 22925068
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 61041491
N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 115662264

Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-pyrazole-4-carboxamide;propane?
The IUPAC name of N-methyl-1H-pyrazole-4-carboxamide;propane (CID 155700970) is N-methyl-1H-pyrazole-4-carboxamide;propane.
What is the SMILES notation for N-methyl-1H-pyrazole-4-carboxamide;propane?
The canonical SMILES for N-methyl-1H-pyrazole-4-carboxamide;propane is CCC.CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-1H-pyrazole-4-carboxamide;propane?
The InChIKey is GJOODEKVOQBJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C3H8/c1-6-5(9)4-2-7-8-3-4;1-3-2/h2-3H,1H3,(H,6,9)(H,7,8);3H2,1-2H3.
What are the key properties of N-methyl-1H-pyrazole-4-carboxamide;propane?
N-methyl-1H-pyrazole-4-carboxamide;propane has a molecular weight of 169.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-pyrazole-4-carboxamide;propane is sourced from PubChem (CID 155700970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).