N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H16N6OS — CID 122245898

IUPACN-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)c3cc(-c4cccs4)[nH]n3)ccn2)cn1
InChIInChI=1S/C18H16N6OS/c1-24-11-13(10-21-24)14-7-12(4-5-19-14)9-20-18(25)16-8-15(22-23-16)17-3-2-6-26-17/h2-8,10-11H,9H2,1H3,(H,20,25)(H,22,23)
InChIKeyLUZYZJOECQRUNO-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.86
Rot. Bonds5

About N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 122245898) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID122245898
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)c3cc(-c4cccs4)[nH]n3)ccn2)cn1
InChIInChI=1S/C18H16N6OS/c1-24-11-13(10-21-24)14-7-12(4-5-19-14)9-20-18(25)16-8-15(22-23-16)17-3-2-6-26-17/h2-8,10-11H,9H2,1H3,(H,20,25)(H,22,23)
InChIKeyLUZYZJOECQRUNO-UHFFFAOYSA-N
XLogP2.86
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 122245898) is N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cn1cc(-c2cc(CNC(=O)c3cc(-c4cccs4)[nH]n3)ccn2)cn1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is LUZYZJOECQRUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-24-11-13(10-21-24)14-7-12(4-5-19-14)9-20-18(25)16-8-15(22-23-16)17-3-2-6-26-17/h2-8,10-11H,9H2,1H3,(H,20,25)(H,22,23).
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 122245898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).