N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide

C18H15N5O2 — CID 72717798

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)n(-c2cc(NC(=O)c3cc4ccccc4o3)ncn2)n1
InChIInChI=1S/C18H15N5O2/c1-11-7-12(2)23(22-11)17-9-16(19-10-20-17)21-18(24)15-8-13-5-3-4-6-14(13)25-15/h3-10H,1-2H3,(H,19,20,21,24)
InChIKeyQJCYFRAEQFHBFA-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.28
Rot. Bonds3

About N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide

N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 72717798) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide
PubChem CID72717798
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)n(-c2cc(NC(=O)c3cc4ccccc4o3)ncn2)n1
InChIInChI=1S/C18H15N5O2/c1-11-7-12(2)23(22-11)17-9-16(19-10-20-17)21-18(24)15-8-13-5-3-4-6-14(13)25-15/h3-10H,1-2H3,(H,19,20,21,24)
InChIKeyQJCYFRAEQFHBFA-UHFFFAOYSA-N
XLogP3.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
(2S,3S)-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97106660
N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 27148287
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991
N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122316364
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenylhydrazine
CID 3091883
1-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-naphthalen-2-ylurea
CID 121072721
N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 166197616
7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 46468257
N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 6459983
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122292449

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide (CID 72717798) is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide is Cc1cc(C)n(-c2cc(NC(=O)c3cc4ccccc4o3)ncn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is QJCYFRAEQFHBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-7-12(2)23(22-11)17-9-16(19-10-20-17)21-18(24)15-8-13-5-3-4-6-14(13)25-15/h3-10H,1-2H3,(H,19,20,21,24).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide?
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 72717798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).