5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide

C23H26FN5O2 — CID 147417771

IUPAC5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(F)c3)c2C(N)=O)cc1
InChIInChI=1S/C23H26FN5O2/c1-15-2-4-16(5-3-15)14-26-23-21(22(25)30)19(27-28-23)13-17-6-7-20(18(24)12-17)29-8-10-31-11-9-29/h2-7,12H,8-11,13-14H2,1H3,(H2,25,30)(H2,26,27,28)
InChIKeyDRWFAJLWZCXSOJ-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.00
Rot. Bonds7

About 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 147417771) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID147417771
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(F)c3)c2C(N)=O)cc1
InChIInChI=1S/C23H26FN5O2/c1-15-2-4-16(5-3-15)14-26-23-21(22(25)30)19(27-28-23)13-17-6-7-20(18(24)12-17)29-8-10-31-11-9-29/h2-7,12H,8-11,13-14H2,1H3,(H2,25,30)(H2,26,27,28)
InChIKeyDRWFAJLWZCXSOJ-UHFFFAOYSA-N
XLogP3.00
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(2-methoxyethylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25176332
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-[[(2R)-1-methoxypropan-2-yl]amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 25176649
ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70654694
N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 70654866
N-[5-[(2,3-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-morpholin-4-ylbenzamide
CID 164611472
N-[5-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-morpholin-4-ylbenzamide
CID 164621649
N-[5-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide
CID 164622550
N-[5-[(2,3-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide
CID 164623268
(E)-N-[[4-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]phenyl]methyl]-4-morpholin-4-ylbut-2-enamide
CID 155168086
(E)-N-[4-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]phenyl]-4-morpholin-4-ylbut-2-enamide
CID 155175708
N-[3-(4-Amino-3-Methylphenyl)-1h-Pyrazol-5-Yl]-4-[(4-Methylpiperazin-1-Yl)methyl]benzamide
CID 119025618
2-isopropyl-4-(3-methyl-1H-pyrazol-5-ylamino)-7-morpholinophthalazin-1(2H)-one
CID 11660668

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 147417771) is 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide is Cc1ccc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(F)c3)c2C(N)=O)cc1.
What is the InChIKey of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is DRWFAJLWZCXSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-15-2-4-16(5-3-15)14-26-23-21(22(25)30)19(27-28-23)13-17-6-7-20(18(24)12-17)29-8-10-31-11-9-29/h2-7,12H,8-11,13-14H2,1H3,(H2,25,30)(H2,26,27,28).
What are the key properties of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 147417771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).