N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide

C18H18N6OS — CID 56754325

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1nnc(CNC(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)s1
InChIInChI=1S/C18H18N6OS/c1-2-16-22-23-17(26-16)10-19-18(25)14-9-13(20-21-14)11-24-8-7-12-5-3-4-6-15(12)24/h3-9H,2,10-11H2,1H3,(H,19,25)(H,20,21)
InChIKeyVNVOAWXBFFJHQF-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.76
Rot. Bonds6

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56754325) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID56754325
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1nnc(CNC(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)s1
InChIInChI=1S/C18H18N6OS/c1-2-16-22-23-17(26-16)10-19-18(25)14-9-13(20-21-14)11-24-8-7-12-5-3-4-6-15(12)24/h3-9H,2,10-11H2,1H3,(H,19,25)(H,20,21)
InChIKeyVNVOAWXBFFJHQF-UHFFFAOYSA-N
XLogP2.76
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide (CID 56754325) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide is CCc1nnc(CNC(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is VNVOAWXBFFJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-2-16-22-23-17(26-16)10-19-18(25)14-9-13(20-21-14)11-24-8-7-12-5-3-4-6-15(12)24/h3-9H,2,10-11H2,1H3,(H,19,25)(H,20,21).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5-(indol-1-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56754325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).