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

Kdm5A-IN-1
CID 119081409
US10022354, Example 152
CID 121279737
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
LmCPB-IN-1
CID 145974244
US10022354, Example 123
CID 121279532
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
N,3-ditert-butyl-1-pentylpyrazole-5-carboxamide
CID 141747275
US10022354, Example 231
CID 121279598
US10022354, Example 230
CID 121279605
US10022354, Example 222
CID 121279620

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).