N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H17N5O3 — CID 56909999

IUPACN,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)c(=O)n2[nH]1
InChIInChI=1S/C19H17N5O3/c1-12-8-17-20-10-15(19(26)24(17)21-12)18(25)23(2)11-14-9-16(22-27-14)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3
InChIKeySYFHSSFKZNIKCQ-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.26
Rot. Bonds4

About N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 56909999) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID56909999
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)c(=O)n2[nH]1
InChIInChI=1S/C19H17N5O3/c1-12-8-17-20-10-15(19(26)24(17)21-12)18(25)23(2)11-14-9-16(22-27-14)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3
InChIKeySYFHSSFKZNIKCQ-UHFFFAOYSA-N
XLogP2.26
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 56909999) is N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)c(=O)n2[nH]1.
What is the InChIKey of N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SYFHSSFKZNIKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-12-8-17-20-10-15(19(26)24(17)21-12)18(25)23(2)11-14-9-16(22-27-14)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3.
What are the key properties of N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 56909999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).