2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide

C21H24N4O2 — CID 91774287

IUPAC2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C21H24N4O2/c1-3-25-19(8-13(2)24-25)21(27)23-20(15-10-17(26)11-15)16-9-14-6-4-5-7-18(14)22-12-16/h4-9,12,15,17,20,26H,3,10-11H2,1-2H3,(H,23,27)
InChIKeyZYZUAFGFBQNBLR-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.00
Rot. Bonds5

About 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide (PubChem CID 91774287) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
PubChem CID91774287
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C21H24N4O2/c1-3-25-19(8-13(2)24-25)21(27)23-20(15-10-17(26)11-15)16-9-14-6-4-5-7-18(14)22-12-16/h4-9,12,15,17,20,26H,3,10-11H2,1-2H3,(H,23,27)
InChIKeyZYZUAFGFBQNBLR-UHFFFAOYSA-N
XLogP3.00
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91768658
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
CID 91765727
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
CID 91763890
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
CID 91782979
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide
CID 91790371
4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
CID 91787352
3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide
CID 91762443
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
CID 91781261
3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91774940
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 91792904
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 91778980
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
CID 91764754

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide (CID 91774287) is 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is ZYZUAFGFBQNBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-25-19(8-13(2)24-25)21(27)23-20(15-10-17(26)11-15)16-9-14-6-4-5-7-18(14)22-12-16/h4-9,12,15,17,20,26H,3,10-11H2,1-2H3,(H,23,27).
What are the key properties of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91774287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).