N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide

C18H22N4O3 — CID 110017438

IUPACN-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
SMILESCc1c(C(C)Nc2cnn(CC(=O)NCCO)c2)oc2ccccc12
InChIInChI=1S/C18H22N4O3/c1-12-15-5-3-4-6-16(15)25-18(12)13(2)21-14-9-20-22(10-14)11-17(24)19-7-8-23/h3-6,9-10,13,21,23H,7-8,11H2,1-2H3,(H,19,24)
InChIKeyLMZRSHFDUQDCPE-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.22
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide (PubChem CID 110017438) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
PubChem CID110017438
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
SMILESCc1c(C(C)Nc2cnn(CC(=O)NCCO)c2)oc2ccccc12
InChIInChI=1S/C18H22N4O3/c1-12-15-5-3-4-6-16(15)25-18(12)13(2)21-14-9-20-22(10-14)11-17(24)19-7-8-23/h3-6,9-10,13,21,23H,7-8,11H2,1-2H3,(H,19,24)
InChIKeyLMZRSHFDUQDCPE-UHFFFAOYSA-N
XLogP2.22
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017434
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904419
N-(2-hydroxyethyl)-2-[4-(1-naphthalen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 110017473
2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017432
2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017430
2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017445
2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017479
2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43777777
2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017463
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide (CID 110017438) is N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide is Cc1c(C(C)Nc2cnn(CC(=O)NCCO)c2)oc2ccccc12.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide?
The InChIKey is LMZRSHFDUQDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-15-5-3-4-6-16(15)25-18(12)13(2)21-14-9-20-22(10-14)11-17(24)19-7-8-23/h3-6,9-10,13,21,23H,7-8,11H2,1-2H3,(H,19,24).
What are the key properties of N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 110017438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).