N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide

C21H24N4O — CID 31124402

IUPACN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C21H24N4O/c1-15-5-8-17(13-22-15)20(26)24-19-11-12-23-25(19)14-16-6-9-18(10-7-16)21(2,3)4/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyIQWARSNGYGHNBK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.18
Rot. Bonds4

About N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide (PubChem CID 31124402) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
PubChem CID31124402
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C21H24N4O/c1-15-5-8-17(13-22-15)20(26)24-19-11-12-23-25(19)14-16-6-9-18(10-7-16)21(2,3)4/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyIQWARSNGYGHNBK-UHFFFAOYSA-N
XLogP4.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 34078100
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 34078119
2-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]benzamide
CID 27832017
5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 55772310
methyl 2-[3-[[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]carbamoyl]phenoxy]acetate
CID 55875529
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
(E)-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 38077301
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-pyrazol-1-ylpropanamide
CID 134048943
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
CID 35579716
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024755

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide (CID 31124402) is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is IQWARSNGYGHNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-5-8-17(13-22-15)20(26)24-19-11-12-23-25(19)14-16-6-9-18(10-7-16)21(2,3)4/h5-13H,14H2,1-4H3,(H,24,26).
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 31124402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).