N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide

C9H16N4O — CID 115302661

IUPACN-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
SMILESCNCC(C)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O/c1-7(3-10-2)4-11-9(14)8-5-12-13-6-8/h5-7,10H,3-4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyHPJWVQYWICUJPT-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.00
Rot. Bonds5

About N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide

N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 115302661) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
PubChem CID115302661
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
SMILESCNCC(C)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O/c1-7(3-10-2)4-11-9(14)8-5-12-13-6-8/h5-7,10H,3-4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyHPJWVQYWICUJPT-UHFFFAOYSA-N
XLogP-0.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
CID 62651511
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
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CID 106285778
N-propan-2-yl-1H-pyrazole-4-carboxamide
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4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
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N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
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N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide
CID 106156781
N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
CID 64991887
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide (CID 115302661) is N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide is CNCC(C)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HPJWVQYWICUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(3-10-2)4-11-9(14)8-5-12-13-6-8/h5-7,10H,3-4H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide?
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115302661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).