5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

C16H15ClN4O2S — CID 90937986

IUPAC5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2cc(N)n[nH]2)cc1OCCc1ccccc1Cl
InChIInChI=1S/C16H15ClN4O2S/c17-10-4-2-1-3-9(10)5-6-23-12-8-13(24-15(12)16(19)22)11-7-14(18)21-20-11/h1-4,7-8H,5-6H2,(H2,19,22)(H3,18,20,21)
InChIKeyGSWPKJDVWIHROK-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.09
Rot. Bonds6

About 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (PubChem CID 90937986) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
PubChem CID90937986
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2cc(N)n[nH]2)cc1OCCc1ccccc1Cl
InChIInChI=1S/C16H15ClN4O2S/c17-10-4-2-1-3-9(10)5-6-23-12-8-13(24-15(12)16(19)22)11-7-14(18)21-20-11/h1-4,7-8H,5-6H2,(H2,19,22)(H3,18,20,21)
InChIKeyGSWPKJDVWIHROK-UHFFFAOYSA-N
XLogP3.09
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxylate
CID 91324097
5-(benzimidazol-1-yl)-3-[(2-chlorophenyl)methoxy]thiophene-2-carboxamide
CID 25263080
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115110039
5-[2-amino-5-(3-chlorophenyl)-3-pyridinyl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 23624302
2-(2-chlorophenyl)ethyl carbamate;methoxymethanol
CID 144705844
5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528488
2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
1-O-butyl 10-O-[2-(2-chlorophenyl)ethyl] decanedioate
CID 91715987
1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea
CID 117334161
5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 67437966
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (CID 90937986) is 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is NC(=O)c1sc(-c2cc(N)n[nH]2)cc1OCCc1ccccc1Cl.
What is the InChIKey of 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The InChIKey is GSWPKJDVWIHROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c17-10-4-2-1-3-9(10)5-6-23-12-8-13(24-15(12)16(19)22)11-7-14(18)21-20-11/h1-4,7-8H,5-6H2,(H2,19,22)(H3,18,20,21).
What are the key properties of 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 90937986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).