1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one

C21H23N3O2 — CID 68724128

IUPAC1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NCc2[nH]ncc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-4-21(25)16-5-9-17(10-6-16)22-14-20-19(13-23-24-20)15-7-11-18(26-2)12-8-15/h5-13,22H,3-4,14H2,1-2H3,(H,23,24)
InChIKeyRYSRTKCHGKQBEW-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.68
Rot. Bonds8

About 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one

1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one (PubChem CID 68724128) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one
PubChem CID68724128
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NCc2[nH]ncc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-4-21(25)16-5-9-17(10-6-16)22-14-20-19(13-23-24-20)15-7-11-18(26-2)12-8-15/h5-13,22H,3-4,14H2,1-2H3,(H,23,24)
InChIKeyRYSRTKCHGKQBEW-UHFFFAOYSA-N
XLogP4.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one with MolForge

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Related Compounds

1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
1-[4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]butan-1-one
CID 68724492
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56524362
4-methoxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 43840001
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
3-[4-[(2R)-butan-2-yl]anilino]-1-(4-methoxyphenyl)propan-1-one
CID 41098265
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
1-[4-[(2,5-dichloro-3-pyridinyl)methylamino]phenyl]butan-1-one
CID 87550829
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one?
The IUPAC name of 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one (CID 68724128) is 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one.
What is the SMILES notation for 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one?
The canonical SMILES for 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one is CCCC(=O)c1ccc(NCc2[nH]ncc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one?
The InChIKey is RYSRTKCHGKQBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-4-21(25)16-5-9-17(10-6-16)22-14-20-19(13-23-24-20)15-7-11-18(26-2)12-8-15/h5-13,22H,3-4,14H2,1-2H3,(H,23,24).
What are the key properties of 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one?
1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one has a molecular weight of 349.43 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylamino]phenyl]butan-1-one is sourced from PubChem (CID 68724128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).