N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide

C21H22N4O2 — CID 91776192

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NC(Cc1ccncc1)C1CC(O)C1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H22N4O2/c26-19-13-17(14-19)20(11-15-5-8-22-9-6-15)24-21(27)16-3-1-4-18(12-16)25-10-2-7-23-25/h1-10,12,17,19-20,26H,11,13-14H2,(H,24,27)
InChIKeyCDFIIGARNVWYJY-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.38
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide (PubChem CID 91776192) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide
PubChem CID91776192
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NC(Cc1ccncc1)C1CC(O)C1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H22N4O2/c26-19-13-17(14-19)20(11-15-5-8-22-9-6-15)24-21(27)16-3-1-4-18(12-16)25-10-2-7-23-25/h1-10,12,17,19-20,26H,11,13-14H2,(H,24,27)
InChIKeyCDFIIGARNVWYJY-UHFFFAOYSA-N
XLogP2.38
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide
CID 91762894
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide
CID 91763983
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 91786219
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
CID 91778705
6-cyano-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]pyridine-3-carboxamide
CID 91767901
2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide
CID 91789451
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-3-pyrazol-1-ylbenzamide
CID 56743823
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 91777146
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyrazol-1-ylbenzamide
CID 155912648

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide (CID 91776192) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide is O=C(NC(Cc1ccncc1)C1CC(O)C1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is CDFIIGARNVWYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-19-13-17(14-19)20(11-15-5-8-22-9-6-15)24-21(27)16-3-1-4-18(12-16)25-10-2-7-23-25/h1-10,12,17,19-20,26H,11,13-14H2,(H,24,27).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 91776192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).