1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide

C9H16N4O — CID 103512630

IUPAC1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
SMILESCNC(C)CNC(=O)c1cnn(C)c1
InChIInChI=1S/C9H16N4O/c1-7(10-2)4-11-9(14)8-5-12-13(3)6-8/h5-7,10H,4H2,1-3H3,(H,11,14)
InChIKeyREWFNKAWSHBVQJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.24
Rot. Bonds4

About 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide

1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide (PubChem CID 103512630) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
PubChem CID103512630
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
SMILESCNC(C)CNC(=O)c1cnn(C)c1
InChIInChI=1S/C9H16N4O/c1-7(10-2)4-11-9(14)8-5-12-13(3)6-8/h5-7,10H,4H2,1-3H3,(H,11,14)
InChIKeyREWFNKAWSHBVQJ-UHFFFAOYSA-N
XLogP-0.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 39554190
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492256
1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
CID 86915318
N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 114299684
3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide
CID 120828179
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[2-(2-chloroethyl)pentyl]-1-methylpyrazole-4-carboxamide
CID 106117785
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide (CID 103512630) is 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide is CNC(C)CNC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide?
The InChIKey is REWFNKAWSHBVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(10-2)4-11-9(14)8-5-12-13(3)6-8/h5-7,10H,4H2,1-3H3,(H,11,14).
What are the key properties of 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide?
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 103512630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).