N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide

C16H21N3O — CID 110863414

IUPACN-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cn[nH]c1
InChIInChI=1S/C16H21N3O/c1-10(2)13-6-5-7-14(11(3)4)15(13)19-16(20)12-8-17-18-9-12/h5-11H,1-4H3,(H,17,18)(H,19,20)
InChIKeyUAEVPOQJYQEAQS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.91
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 110863414) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID110863414
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cn[nH]c1
InChIInChI=1S/C16H21N3O/c1-10(2)13-6-5-7-14(11(3)4)15(13)19-16(20)12-8-17-18-9-12/h5-11H,1-4H3,(H,17,18)(H,19,20)
InChIKeyUAEVPOQJYQEAQS-UHFFFAOYSA-N
XLogP3.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570
N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
CID 8778728
N-[2-[2-(difluoromethyl)phenyl]-4,5,6-trifluoro-3-methylphenyl]-1H-pyrazole-4-carboxamide
CID 164575681
2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide
CID 109263050
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide
CID 113199333
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498
(2S)-2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 7018110
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide (CID 110863414) is N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UAEVPOQJYQEAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)13-6-5-7-14(11(3)4)15(13)19-16(20)12-8-17-18-9-12/h5-11H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110863414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).