N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H20N6O — CID 50956537

IUPACN-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC(Cn3ccnc3)C(C)C)cnn2c1
InChIInChI=1S/C16H20N6O/c1-11(2)14(9-21-5-4-17-10-21)20-16(23)13-7-19-22-8-12(3)6-18-15(13)22/h4-8,10-11,14H,9H2,1-3H3,(H,20,23)
InChIKeyNMCJRKZJZWSRCM-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.69
Rot. Bonds5

About N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50956537) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50956537
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC(Cn3ccnc3)C(C)C)cnn2c1
InChIInChI=1S/C16H20N6O/c1-11(2)14(9-21-5-4-17-10-21)20-16(23)13-7-19-22-8-12(3)6-18-15(13)22/h4-8,10-11,14H,9H2,1-3H3,(H,20,23)
InChIKeyNMCJRKZJZWSRCM-UHFFFAOYSA-N
XLogP1.69
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50956537) is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC(Cn3ccnc3)C(C)C)cnn2c1.
What is the InChIKey of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NMCJRKZJZWSRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11(2)14(9-21-5-4-17-10-21)20-16(23)13-7-19-22-8-12(3)6-18-15(13)22/h4-8,10-11,14H,9H2,1-3H3,(H,20,23).
What are the key properties of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50956537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).