N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C15H17N5OS — CID 56873971

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)c1cnc2ccnn2c1C
InChIInChI=1S/C15H17N5OS/c1-4-12-13(22-10(3)19-12)8-17-15(21)11-7-16-14-5-6-18-20(14)9(11)2/h5-7H,4,8H2,1-3H3,(H,17,21)
InChIKeyMHWQHXRBQPMNEN-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.30
Rot. Bonds4

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 56873971) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID56873971
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)c1cnc2ccnn2c1C
InChIInChI=1S/C15H17N5OS/c1-4-12-13(22-10(3)19-12)8-17-15(21)11-7-16-14-5-6-18-20(14)9(11)2/h5-7H,4,8H2,1-3H3,(H,17,21)
InChIKeyMHWQHXRBQPMNEN-UHFFFAOYSA-N
XLogP2.30
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 56873971) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCc1nc(C)sc1CNC(=O)c1cnc2ccnn2c1C.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MHWQHXRBQPMNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-4-12-13(22-10(3)19-12)8-17-15(21)11-7-16-14-5-6-18-20(14)9(11)2/h5-7H,4,8H2,1-3H3,(H,17,21).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 56873971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).