1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide

C12H22N4O — CID 120828370

IUPAC1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1cc(C(C)C)n(C)n1
InChIInChI=1S/C12H22N4O/c1-8(2)11-6-10(15-16(11)5)12(17)14-7-9(3)13-4/h6,8-9,13H,7H2,1-5H3,(H,14,17)
InChIKeyHTUZFCLMRUYYQY-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.88
Rot. Bonds5

About 1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide

1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 120828370) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID120828370
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1cc(C(C)C)n(C)n1
InChIInChI=1S/C12H22N4O/c1-8(2)11-6-10(15-16(11)5)12(17)14-7-9(3)13-4/h6,8-9,13H,7H2,1-5H3,(H,14,17)
InChIKeyHTUZFCLMRUYYQY-UHFFFAOYSA-N
XLogP0.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119997570
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119501561
2,2-dimethyl-3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119250261
N-(3-aminopropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119406374
1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 120828611
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560347
5-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110541
1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119511635
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560576
2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245279
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813
2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119209552

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide (CID 120828370) is 1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide is CNC(C)CNC(=O)c1cc(C(C)C)n(C)n1.
What is the InChIKey of 1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is HTUZFCLMRUYYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)11-6-10(15-16(11)5)12(17)14-7-9(3)13-4/h6,8-9,13H,7H2,1-5H3,(H,14,17).
What are the key properties of 1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide?
1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.88, 5 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]-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 120828370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).