N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine

C18H25FN4O3S — CID 9241464

IUPACN-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCc1nn(CN(C)Cc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H25FN4O3S/c1-14-18(27(24,25)22-8-10-26-11-9-22)15(2)23(20-14)13-21(3)12-16-4-6-17(19)7-5-16/h4-7H,8-13H2,1-3H3
InChIKeyUYQXJIVAQHWJNC-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.75
Rot. Bonds6

About N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine

N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 9241464) has the molecular formula C18H25FN4O3S and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID9241464
Molecular FormulaC18H25FN4O3S
Molecular Weight396.49 g/mol
Exact Mass396.16
IUPAC NameN-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCc1nn(CN(C)Cc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H25FN4O3S/c1-14-18(27(24,25)22-8-10-26-11-9-22)15(2)23(20-14)13-21(3)12-16-4-6-17(19)7-5-16/h4-7H,8-13H2,1-3H3
InChIKeyUYQXJIVAQHWJNC-UHFFFAOYSA-N
XLogP1.75
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[5-(Benzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}morpholine
CID 124079174
4-{[5-(3-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}morpholine
CID 124079179
N-Benzyl-N-methyl-N-{9-[(1,3,5-trimethyl-1H-pyrazol-4-YL)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-YL}amine
CID 91919096
1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
CID 9285888
1-[(4-Fluorophenyl)-phenylmethyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 132462617
(Z)-4-[3,5-dimethyl-4-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrazol-1-yl]-3-fluorobut-2-en-1-amine
CID 142417355
1-[(4-fluorophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
CID 7997074
1-[1-[(4-Fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
CID 8168559
1-[1-[(2-Fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
CID 8168563
4-[1-[(2-Chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 8169080
1-[1-[(4-Fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-4-methylpiperidine
CID 8169169
1-[1-[(2-Fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-4-methylpiperidine
CID 8169170

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine (CID 9241464) is N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine is Cc1nn(CN(C)Cc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is UYQXJIVAQHWJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3S/c1-14-18(27(24,25)22-8-10-26-11-9-22)15(2)23(20-14)13-21(3)12-16-4-6-17(19)7-5-16/h4-7H,8-13H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 396.49 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 9241464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).