5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide

C16H23N5O2 — CID 162664518

IUPAC5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ncccn2)n1
InChIInChI=1S/C16H23N5O2/c1-15(2,3)12-9-11(13(23)19-16(4,5)10-22)20-21(12)14-17-7-6-8-18-14/h6-9,22H,10H2,1-5H3,(H,19,23)
InChIKeyVZCAYXUOSHCDKX-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.46
Rot. Bonds4

About 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide

5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide (PubChem CID 162664518) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
PubChem CID162664518
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ncccn2)n1
InChIInChI=1S/C16H23N5O2/c1-15(2,3)12-9-11(13(23)19-16(4,5)10-22)20-21(12)14-17-7-6-8-18-14/h6-9,22H,10H2,1-5H3,(H,19,23)
InChIKeyVZCAYXUOSHCDKX-UHFFFAOYSA-N
XLogP1.46
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyrimidin-4-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720584
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 162623030
5-tert-butyl-1-(5-fluoro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162672350
5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162671780
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyridin-2-ylpyrazole-3-carboxamide
CID 162675834
US10022354, Example 100
CID 121279607
3-isopropyl-1-methyl-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}-1H-pyrazole-5-carboxamide
CID 70713542
1-ethyl-3-isobutyl-N-[1-(2-pyrimidinyl)-3-piperidinyl]-1H-pyrazole-5-carboxamide
CID 56887725
N~5~-[(3S,4R)-4-(Hydroxymethyl)-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-YL]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 110202483
3-tert-butyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)pyrimidin-2-yl]-1-ethylpyrazole-5-carboxamide
CID 69164565
5-tert-butyl-N-(3-hydroxy-2-methylpropyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 141747296
5-propan-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1H-pyrazole-3-carboxamide
CID 72129931

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide (CID 162664518) is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide is CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ncccn2)n1.
What is the InChIKey of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide?
The InChIKey is VZCAYXUOSHCDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-15(2,3)12-9-11(13(23)19-16(4,5)10-22)20-21(12)14-17-7-6-8-18-14/h6-9,22H,10H2,1-5H3,(H,19,23).
What are the key properties of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide?
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 162664518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).