3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide

C17H19N5OS — CID 118772767

IUPAC3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCc2nc3c(s2)CCCC3)[nH]n1
InChIInChI=1S/C17H19N5OS/c1-22-8-4-6-14(22)12-9-13(21-20-12)17(23)18-10-16-19-11-5-2-3-7-15(11)24-16/h4,6,8-9H,2-3,5,7,10H2,1H3,(H,18,23)(H,20,21)
InChIKeyWCWRIPSUDZWPDU-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.68
Rot. Bonds4

About 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 118772767) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID118772767
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCc2nc3c(s2)CCCC3)[nH]n1
InChIInChI=1S/C17H19N5OS/c1-22-8-4-6-14(22)12-9-13(21-20-12)17(23)18-10-16-19-11-5-2-3-7-15(11)24-16/h4,6,8-9H,2-3,5,7,10H2,1H3,(H,18,23)(H,20,21)
InChIKeyWCWRIPSUDZWPDU-UHFFFAOYSA-N
XLogP2.68
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 70757035
methyl (E)-4-[[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]amino]but-2-enoate
CID 118667842
N-(3-benzylsulfanylpropyl)-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131935860
3-(1-methylpyrrol-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 122572772
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131943793
N-[(4-fluorophenyl)methyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759503
(2R)-2-(4-oxo-3H-phthalazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 124751816
3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 70772071
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenothiazine-10-carboxamide
CID 23102334
3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70755650
(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
CID 97144566
3-(1,3-benzodioxol-5-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 91632242

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 118772767) is 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)NCc2nc3c(s2)CCCC3)[nH]n1.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WCWRIPSUDZWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-22-8-4-6-14(22)12-9-13(21-20-12)17(23)18-10-16-19-11-5-2-3-7-15(11)24-16/h4,6,8-9H,2-3,5,7,10H2,1H3,(H,18,23)(H,20,21).
What are the key properties of 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118772767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).