2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide

C17H18N6O — CID 166225176

IUPAC2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)Nc2cn[nH]c2-c2ccccn2)cn1
InChIInChI=1S/C17H18N6O/c1-17(2,3)16-19-8-11(9-20-16)15(24)22-13-10-21-23-14(13)12-6-4-5-7-18-12/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyLCCLJTWLWGVLKU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.81
Rot. Bonds3

About 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide

2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide (PubChem CID 166225176) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide
PubChem CID166225176
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)Nc2cn[nH]c2-c2ccccn2)cn1
InChIInChI=1S/C17H18N6O/c1-17(2,3)16-19-8-11(9-20-16)15(24)22-13-10-21-23-14(13)12-6-4-5-7-18-12/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyLCCLJTWLWGVLKU-UHFFFAOYSA-N
XLogP2.81
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethylamino)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166397794
5-ethyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166234581
2-methoxy-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 146124376
4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166192549
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 146081206
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 154858973
4-(pyrazol-1-ylmethyl)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 167793596
3,5-dimethyl-N-[2-oxo-2-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]ethyl]benzamide
CID 86796993
1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea
CID 75397330
N-[6-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]-3-pyridinyl]benzamide
CID 59376314
2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 138989555
N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
CID 75443487

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide (CID 166225176) is 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide is CC(C)(C)c1ncc(C(=O)Nc2cn[nH]c2-c2ccccn2)cn1.
What is the InChIKey of 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide?
The InChIKey is LCCLJTWLWGVLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-17(2,3)16-19-8-11(9-20-16)15(24)22-13-10-21-23-14(13)12-6-4-5-7-18-12/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide?
2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 166225176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).