N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C17H20N4O2 — CID 95058555

IUPACN-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)N[C@@H](C)CC)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C17H20N4O2/c1-4-11(3)18-17(22)14-9-12(5-2)21-16(19-14)10-13(20-21)15-7-6-8-23-15/h6-11H,4-5H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyWZNQVZQYNXPFJF-NSHDSACASA-N
MW312.37 g/mol
LogP3.08
Rot. Bonds5

About N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 95058555) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID95058555
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)N[C@@H](C)CC)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C17H20N4O2/c1-4-11(3)18-17(22)14-9-12(5-2)21-16(19-14)10-13(20-21)15-7-6-8-23-15/h6-11H,4-5H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyWZNQVZQYNXPFJF-NSHDSACASA-N
XLogP3.08
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 95058555) is N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1cc(C(=O)N[C@@H](C)CC)nc2cc(-c3ccco3)nn12.
What is the InChIKey of N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is WZNQVZQYNXPFJF-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-11(3)18-17(22)14-9-12(5-2)21-16(19-14)10-13(20-21)15-7-6-8-23-15/h6-11H,4-5H2,1-3H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 95058555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).