N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H19N5O2S — CID 122515306

IUPACN-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)C1(C(N)=O)SC=CC1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H19N5O2S/c1-15(2,3)16(14(17)23)11(5-8-24-16)20-13(22)10-9-19-21-7-4-6-18-12(10)21/h4-9,11H,1-3H3,(H2,17,23)(H,20,22)
InChIKeyUBLRXRQJHDXUFL-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.36
Rot. Bonds3

About N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122515306) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122515306
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)C1(C(N)=O)SC=CC1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H19N5O2S/c1-15(2,3)16(14(17)23)11(5-8-24-16)20-13(22)10-9-19-21-7-4-6-18-12(10)21/h4-9,11H,1-3H3,(H2,17,23)(H,20,22)
InChIKeyUBLRXRQJHDXUFL-UHFFFAOYSA-N
XLogP1.36
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166255196
methyl (2S)-2-methyl-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoate
CID 94795811
N-[1-(1-adamantyl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414537
N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47021323
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39991149
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142393172
tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate
CID 75396671
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844597
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122515306) is N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(C)C1(C(N)=O)SC=CC1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UBLRXRQJHDXUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-15(2,3)16(14(17)23)11(5-8-24-16)20-13(22)10-9-19-21-7-4-6-18-12(10)21/h4-9,11H,1-3H3,(H2,17,23)(H,20,22).
What are the key properties of N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-2-carbamoyl-3H-thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122515306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).