N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide

C12H17N5O — CID 19575903

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1c(CN(C)C(=O)c2ccnn2C)cnn1C
InChIInChI=1S/C12H17N5O/c1-9-10(7-14-16(9)3)8-15(2)12(18)11-5-6-13-17(11)4/h5-7H,8H2,1-4H3
InChIKeyGBCBWOXDGJVVEQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.73
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 19575903) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID19575903
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1c(CN(C)C(=O)c2ccnn2C)cnn1C
InChIInChI=1S/C12H17N5O/c1-9-10(7-14-16(9)3)8-15(2)12(18)11-5-6-13-17(11)4/h5-7H,8H2,1-4H3
InChIKeyGBCBWOXDGJVVEQ-UHFFFAOYSA-N
XLogP0.73
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide (CID 19575903) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide is Cc1c(CN(C)C(=O)c2ccnn2C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is GBCBWOXDGJVVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-10(7-14-16(9)3)8-15(2)12(18)11-5-6-13-17(11)4/h5-7H,8H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19575903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).