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

C13H19N5O — CID 19575943

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cnn(C)c2C)n(C)n1
InChIInChI=1S/C13H19N5O/c1-9-6-12(18(5)15-9)13(19)16(3)8-11-7-14-17(4)10(11)2/h6-7H,8H2,1-5H3
InChIKeyUNUYNEMYPLTDGL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.04
Rot. Bonds3

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 19575943) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID19575943
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cnn(C)c2C)n(C)n1
InChIInChI=1S/C13H19N5O/c1-9-6-12(18(5)15-9)13(19)16(3)8-11-7-14-17(4)10(11)2/h6-7H,8H2,1-5H3
InChIKeyUNUYNEMYPLTDGL-UHFFFAOYSA-N
XLogP1.04
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.04
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,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 19575943) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2cnn(C)c2C)n(C)n1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is UNUYNEMYPLTDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-6-12(18(5)15-9)13(19)16(3)8-11-7-14-17(4)10(11)2/h6-7H,8H2,1-5H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.04, 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,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19575943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).