N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide

C16H13N5O2S — CID 75375958

IUPACN-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccc(-n3cc(C#N)c(N)n3)cc2)c1
InChIInChI=1S/C16H13N5O2S/c1-23-13-6-14(24-9-13)16(22)19-11-2-4-12(5-3-11)21-8-10(7-17)15(18)20-21/h2-6,8-9H,1H3,(H2,18,20)(H,19,22)
InChIKeyBENDJLSUPCRUEI-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.65
Rot. Bonds4

About N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide

N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide (PubChem CID 75375958) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide
PubChem CID75375958
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC NameN-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccc(-n3cc(C#N)c(N)n3)cc2)c1
InChIInChI=1S/C16H13N5O2S/c1-23-13-6-14(24-9-13)16(22)19-11-2-4-12(5-3-11)21-8-10(7-17)15(18)20-21/h2-6,8-9H,1H3,(H2,18,20)(H,19,22)
InChIKeyBENDJLSUPCRUEI-UHFFFAOYSA-N
XLogP2.65
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide (CID 75375958) is N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)Nc2ccc(-n3cc(C#N)c(N)n3)cc2)c1.
What is the InChIKey of N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is BENDJLSUPCRUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-23-13-6-14(24-9-13)16(22)19-11-2-4-12(5-3-11)21-8-10(7-17)15(18)20-21/h2-6,8-9H,1H3,(H2,18,20)(H,19,22).
What are the key properties of N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide?
N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-cyanopyrazol-1-yl)phenyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 75375958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).