1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide

C13H20N6O — CID 122167362

IUPAC1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
SMILESCc1c(CNc2cc(C(N)=O)n(C)n2)cnn1C(C)C
InChIInChI=1S/C13H20N6O/c1-8(2)19-9(3)10(7-16-19)6-15-12-5-11(13(14)20)18(4)17-12/h5,7-8H,6H2,1-4H3,(H2,14,20)(H,15,17)
InChIKeyWXHOEEJWGFEKHY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds5

About 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide

1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide (PubChem CID 122167362) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
PubChem CID122167362
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
SMILESCc1c(CNc2cc(C(N)=O)n(C)n2)cnn1C(C)C
InChIInChI=1S/C13H20N6O/c1-8(2)19-9(3)10(7-16-19)6-15-12-5-11(13(14)20)18(4)17-12/h5,7-8H,6H2,1-4H3,(H2,14,20)(H,15,17)
InChIKeyWXHOEEJWGFEKHY-UHFFFAOYSA-N
XLogP1.22
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide (CID 122167362) is 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide is Cc1c(CNc2cc(C(N)=O)n(C)n2)cnn1C(C)C.
What is the InChIKey of 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide?
The InChIKey is WXHOEEJWGFEKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-8(2)19-9(3)10(7-16-19)6-15-12-5-11(13(14)20)18(4)17-12/h5,7-8H,6H2,1-4H3,(H2,14,20)(H,15,17).
What are the key properties of 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide?
1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide is sourced from PubChem (CID 122167362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).