N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide

C19H24FN3O3 — CID 91762362

IUPACN-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(C(NC(=O)CCc2ccnn2C)C2CC(O)C2)cc1F
InChIInChI=1S/C19H24FN3O3/c1-23-14(7-8-21-23)4-6-18(25)22-19(13-9-15(24)10-13)12-3-5-17(26-2)16(20)11-12/h3,5,7-8,11,13,15,19,24H,4,6,9-10H2,1-2H3,(H,22,25)
InChIKeyWJLBYFPBRQCGNV-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.13
Rot. Bonds7

About N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 91762362) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID91762362
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(C(NC(=O)CCc2ccnn2C)C2CC(O)C2)cc1F
InChIInChI=1S/C19H24FN3O3/c1-23-14(7-8-21-23)4-6-18(25)22-19(13-9-15(24)10-13)12-3-5-17(26-2)16(20)11-12/h3,5,7-8,11,13,15,19,24H,4,6,9-10H2,1-2H3,(H,22,25)
InChIKeyWJLBYFPBRQCGNV-UHFFFAOYSA-N
XLogP2.13
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-methylsulfanylpropanamide
CID 91770108
3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide
CID 91782922
2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
CID 133264938
2-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
CID 91786570
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91769864
3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86956297
2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
CID 120521290
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131941993
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 91782344
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 51075123

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 91762362) is N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide is COc1ccc(C(NC(=O)CCc2ccnn2C)C2CC(O)C2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is WJLBYFPBRQCGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-23-14(7-8-21-23)4-6-18(25)22-19(13-9-15(24)10-13)12-3-5-17(26-2)16(20)11-12/h3,5,7-8,11,13,15,19,24H,4,6,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 361.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 91762362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).