5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide

C19H21N5O — CID 71860011

IUPAC5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cn[nH]c2C)n1
InChIInChI=1S/C19H21N5O/c1-13-6-4-8-16(21-13)11-24(12-17-9-5-7-14(2)22-17)19(25)18-10-20-23-15(18)3/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyHBMORBKAYIACHZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.97
Rot. Bonds5

About 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide

5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 71860011) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID71860011
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cn[nH]c2C)n1
InChIInChI=1S/C19H21N5O/c1-13-6-4-8-16(21-13)11-24(12-17-9-5-7-14(2)22-17)19(25)18-10-20-23-15(18)3/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyHBMORBKAYIACHZ-UHFFFAOYSA-N
XLogP2.97
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (CID 71860011) is 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cn[nH]c2C)n1.
What is the InChIKey of 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HBMORBKAYIACHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-6-4-8-16(21-13)11-24(12-17-9-5-7-14(2)22-17)19(25)18-10-20-23-15(18)3/h4-10H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-bis[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71860011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).