1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide

C17H22N4O3 — CID 91765736

IUPAC1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(c2ccc(OC)nc2)C2CC(O)C2)cn1
InChIInChI=1S/C17H22N4O3/c1-3-21-10-13(9-19-21)17(23)20-16(12-6-14(22)7-12)11-4-5-15(24-2)18-8-11/h4-5,8-10,12,14,16,22H,3,6-7H2,1-2H3,(H,20,23)
InChIKeyFUOYCVFQPMWHNU-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.55
Rot. Bonds6

About 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide

1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 91765736) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID91765736
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(c2ccc(OC)nc2)C2CC(O)C2)cn1
InChIInChI=1S/C17H22N4O3/c1-3-21-10-13(9-19-21)17(23)20-16(12-6-14(22)7-12)11-4-5-15(24-2)18-8-11/h4-5,8-10,12,14,16,22H,3,6-7H2,1-2H3,(H,20,23)
InChIKeyFUOYCVFQPMWHNU-UHFFFAOYSA-N
XLogP1.55
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 91784748
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790
2-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 91759864
5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91781221
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide
CID 91785186
2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91772366
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 91786632
2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91760458
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 91796938
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 91774198
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91760613

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide (CID 91765736) is 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NC(c2ccc(OC)nc2)C2CC(O)C2)cn1.
What is the InChIKey of 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is FUOYCVFQPMWHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-21-10-13(9-19-21)17(23)20-16(12-6-14(22)7-12)11-4-5-15(24-2)18-8-11/h4-5,8-10,12,14,16,22H,3,6-7H2,1-2H3,(H,20,23).
What are the key properties of 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide?
1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 91765736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).