2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide

C20H23N5O2 — CID 46964112

IUPAC2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cnc(C(C)(C)C)nc3)n(C)n2)cc1
InChIInChI=1S/C20H23N5O2/c1-20(2,3)19-21-11-14(12-22-19)18(26)23-17-10-16(24-25(17)4)13-6-8-15(27-5)9-7-13/h6-12H,1-5H3,(H,23,26)
InChIKeyHHXGUOKGKNGQAD-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.44
Rot. Bonds4

About 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide

2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide (PubChem CID 46964112) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide
PubChem CID46964112
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cnc(C(C)(C)C)nc3)n(C)n2)cc1
InChIInChI=1S/C20H23N5O2/c1-20(2,3)19-21-11-14(12-22-19)18(26)23-17-10-16(24-25(17)4)13-6-8-15(27-5)9-7-13/h6-12H,1-5H3,(H,23,26)
InChIKeyHHXGUOKGKNGQAD-UHFFFAOYSA-N
XLogP3.44
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate
CID 170596502
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3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
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3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
methyl 3-[[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170346238
N-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-5-yl]-1-(3-fluorophenyl)benzimidazole-5-carboxamide
CID 69056361
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]thiadiazole-4-carboxamide
CID 75394492
2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 21105221
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-4-(4-prop-2-ynoxybenzoyl)benzamide
CID 170346312

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide (CID 46964112) is 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide is COc1ccc(-c2cc(NC(=O)c3cnc(C(C)(C)C)nc3)n(C)n2)cc1.
What is the InChIKey of 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide?
The InChIKey is HHXGUOKGKNGQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,3)19-21-11-14(12-22-19)18(26)23-17-10-16(24-25(17)4)13-6-8-15(27-5)9-7-13/h6-12H,1-5H3,(H,23,26).
What are the key properties of 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide?
2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46964112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).