2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide

C22H25N5O2 — CID 68846434

IUPAC2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)n(C(C)(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-14-8-9-16(12-18(14)20(28)25-17-7-6-10-23-13-17)24-21(29)19-11-15(2)26-27(19)22(3,4)5/h6-13H,1-5H3,(H,24,29)(H,25,28)
InChIKeyNGZNLJUMQCEKJP-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.15
Rot. Bonds4

About 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide

2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 68846434) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID68846434
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)n(C(C)(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-14-8-9-16(12-18(14)20(28)25-17-7-6-10-23-13-17)24-21(29)19-11-15(2)26-27(19)22(3,4)5/h6-13H,1-5H3,(H,24,29)(H,25,28)
InChIKeyNGZNLJUMQCEKJP-UHFFFAOYSA-N
XLogP4.15
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68847824
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
[3-[[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174551507
5-[[3-(azetidin-1-ylsulfonyl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848168
[3-[[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]phenyl]methanesulfinate
CID 174551506
4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 68845952
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561916
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
2,5-dimethyl-N-[2-(pyridin-3-ylamino)ethyl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887447
2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 68846434) is 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)n(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is NGZNLJUMQCEKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-8-9-16(12-18(14)20(28)25-17-7-6-10-23-13-17)24-21(29)19-11-15(2)26-27(19)22(3,4)5/h6-13H,1-5H3,(H,24,29)(H,25,28).
What are the key properties of 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide?
2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 68846434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).