N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide

C15H21N5O — CID 146091043

IUPACN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N(C)c2cccnc2N(C)C)n1
InChIInChI=1S/C15H21N5O/c1-11(2)20-10-8-12(17-20)15(21)19(5)13-7-6-9-16-14(13)18(3)4/h6-11H,1-5H3
InChIKeyQJRGUZFFMFXPPN-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.20
Rot. Bonds4

About N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide

N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 146091043) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID146091043
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N(C)c2cccnc2N(C)C)n1
InChIInChI=1S/C15H21N5O/c1-11(2)20-10-8-12(17-20)15(21)19(5)13-7-6-9-16-14(13)18(3)4/h6-11H,1-5H3
InChIKeyQJRGUZFFMFXPPN-UHFFFAOYSA-N
XLogP2.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide (CID 146091043) is N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)N(C)c2cccnc2N(C)C)n1.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is QJRGUZFFMFXPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)20-10-8-12(17-20)15(21)19(5)13-7-6-9-16-14(13)18(3)4/h6-11H,1-5H3.
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 146091043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).