1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide

C9H11N5O — CID 112691443

IUPAC1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1cnn(C)c1
InChIInChI=1S/C9H11N5O/c1-6-3-10-13-8(6)12-9(15)7-4-11-14(2)5-7/h3-5H,1-2H3,(H2,10,12,13,15)
InChIKeyAKXGRLFMPXCBPG-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.70
Rot. Bonds2

About 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide

1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide (PubChem CID 112691443) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide
PubChem CID112691443
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1cnn(C)c1
InChIInChI=1S/C9H11N5O/c1-6-3-10-13-8(6)12-9(15)7-4-11-14(2)5-7/h3-5H,1-2H3,(H2,10,12,13,15)
InChIKeyAKXGRLFMPXCBPG-UHFFFAOYSA-N
XLogP0.70
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide (CID 112691443) is 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide is Cc1cn[nH]c1NC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is AKXGRLFMPXCBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-3-10-13-8(6)12-9(15)7-4-11-14(2)5-7/h3-5H,1-2H3,(H2,10,12,13,15).
What are the key properties of 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide?
1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 112691443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).