N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide

C19H22N4O3 — CID 155880578

IUPACN-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide
SMILESCOC1(C2(NC(=O)c3ccccc3)CN(C(=O)c3cnn(C)c3)C2)CC1
InChIInChI=1S/C19H22N4O3/c1-22-11-15(10-20-22)17(25)23-12-18(13-23,19(26-2)8-9-19)21-16(24)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,24)
InChIKeyNIVRNCZGINKLIY-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.22
Rot. Bonds5

About N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide

N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide (PubChem CID 155880578) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide
PubChem CID155880578
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide
SMILESCOC1(C2(NC(=O)c3ccccc3)CN(C(=O)c3cnn(C)c3)C2)CC1
InChIInChI=1S/C19H22N4O3/c1-22-11-15(10-20-22)17(25)23-12-18(13-23,19(26-2)8-9-19)21-16(24)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,24)
InChIKeyNIVRNCZGINKLIY-UHFFFAOYSA-N
XLogP1.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide
CID 155881164
N-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-3-(1-methoxycyclopropyl)azetidin-3-yl]benzamide
CID 155881053
1-methyl-N-phenacylpyrazole-4-carboxamide
CID 64991757
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone
CID 124886336
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97144723
2-ethyl-9-(1-methylpyrazole-4-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72902995
(4-benzhydrylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9041253
(4-benzylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9041784
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide?
The IUPAC name of N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide (CID 155880578) is N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide.
What is the SMILES notation for N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide?
The canonical SMILES for N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide is COC1(C2(NC(=O)c3ccccc3)CN(C(=O)c3cnn(C)c3)C2)CC1.
What is the InChIKey of N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide?
The InChIKey is NIVRNCZGINKLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22-11-15(10-20-22)17(25)23-12-18(13-23,19(26-2)8-9-19)21-16(24)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide?
N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methoxycyclopropyl)-1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]benzamide is sourced from PubChem (CID 155880578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).