N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

C17H16N6O2S — CID 70820315

IUPACN-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1
InChIInChI=1S/C17H16N6O2S/c1-10(8-24)22-17(25)15-2-11(9-26-15)14-6-21-23-7-13(3-18-16(14)23)12-4-19-20-5-12/h2-7,9-10,24H,8H2,1H3,(H,19,20)(H,22,25)
InChIKeyKRUHZFZUTXAREW-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.96
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (PubChem CID 70820315) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
PubChem CID70820315
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC NameN-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1
InChIInChI=1S/C17H16N6O2S/c1-10(8-24)22-17(25)15-2-11(9-26-15)14-6-21-23-7-13(3-18-16(14)23)12-4-19-20-5-12/h2-7,9-10,24H,8H2,1H3,(H,19,20)(H,22,25)
InChIKeyKRUHZFZUTXAREW-UHFFFAOYSA-N
XLogP1.96
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (CID 70820315) is N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is CC(CO)NC(=O)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The InChIKey is KRUHZFZUTXAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-10(8-24)22-17(25)15-2-11(9-26-15)14-6-21-23-7-13(3-18-16(14)23)12-4-19-20-5-12/h2-7,9-10,24H,8H2,1H3,(H,19,20)(H,22,25).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 70820315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).