4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide

C9H12N6O — CID 62082097

IUPAC4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnn(C)c2)c1N
InChIInChI=1S/C9H12N6O/c1-5-7(10)8(14-13-5)9(16)12-6-3-11-15(2)4-6/h3-4H,10H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyWXOYUIIQOSMWCB-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.29
Rot. Bonds2

About 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 62082097) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID62082097
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnn(C)c2)c1N
InChIInChI=1S/C9H12N6O/c1-5-7(10)8(14-13-5)9(16)12-6-3-11-15(2)4-6/h3-4H,10H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyWXOYUIIQOSMWCB-UHFFFAOYSA-N
XLogP0.29
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide (CID 62082097) is 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnn(C)c2)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is WXOYUIIQOSMWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-5-7(10)8(14-13-5)9(16)12-6-3-11-15(2)4-6/h3-4H,10H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 220.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).