N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C16H23N5O2 — CID 74245321

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)c1n[nH]c2c1COCC2
InChIInChI=1S/C16H23N5O2/c1-16(2,3)13(8-21-6-5-17-10-21)18-15(22)14-11-9-23-7-4-12(11)19-20-14/h5-6,10,13H,4,7-9H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyUWAPNWXEXQFHMJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.52
Rot. Bonds4

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 74245321) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID74245321
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)c1n[nH]c2c1COCC2
InChIInChI=1S/C16H23N5O2/c1-16(2,3)13(8-21-6-5-17-10-21)18-15(22)14-11-9-23-7-4-12(11)19-20-14/h5-6,10,13H,4,7-9H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyUWAPNWXEXQFHMJ-UHFFFAOYSA-N
XLogP1.52
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide
CID 43695422
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 125167700
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 71887640
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 74245321) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is CC(C)(C)C(Cn1ccnc1)NC(=O)c1n[nH]c2c1COCC2.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is UWAPNWXEXQFHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(2,3)13(8-21-6-5-17-10-21)18-15(22)14-11-9-23-7-4-12(11)19-20-14/h5-6,10,13H,4,7-9H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 74245321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).