1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine

C18H22FN5O — CID 42527594

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)Cc2cn(C)nc2C)cc1F
InChIInChI=1S/C18H22FN5O/c1-12-15(11-24(3)22-12)10-23(2)9-14-8-20-21-18(14)13-5-6-17(25-4)16(19)7-13/h5-8,11H,9-10H2,1-4H3,(H,20,21)
InChIKeyRQKFPRQQYABCDL-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.90
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 42527594) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine
PubChem CID42527594
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)Cc2cn(C)nc2C)cc1F
InChIInChI=1S/C18H22FN5O/c1-12-15(11-24(3)22-12)10-23(2)9-14-8-20-21-18(14)13-5-6-17(25-4)16(19)7-13/h5-8,11H,9-10H2,1-4H3,(H,20,21)
InChIKeyRQKFPRQQYABCDL-UHFFFAOYSA-N
XLogP2.90
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 25279564
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 28768086
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196356
N'-[[1-[5-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-fluorophenoxy]-3-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 121342362
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 22196210
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 46993702
N-[[5-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 158486957
5-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 56743322
[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol
CID 42528358
1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 56713825
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 42094203
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine (CID 42527594) is 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine is COc1ccc(-c2[nH]ncc2CN(C)Cc2cn(C)nc2C)cc1F.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is RQKFPRQQYABCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-12-15(11-24(3)22-12)10-23(2)9-14-8-20-21-18(14)13-5-6-17(25-4)16(19)7-13/h5-8,11H,9-10H2,1-4H3,(H,20,21).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 343.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 42527594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).