N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine

C19H18FN5O — CID 46995333

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
SMILESCN(Cc1ccc(-c2ccn[nH]2)o1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN5O/c1-25(12-16-6-7-18(26-16)17-8-9-21-23-17)11-14-10-22-24-19(14)13-2-4-15(20)5-3-13/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyAEHHYMSNYGSKJP-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.83
Rot. Bonds6

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine (PubChem CID 46995333) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
PubChem CID46995333
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
SMILESCN(Cc1ccc(-c2ccn[nH]2)o1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN5O/c1-25(12-16-6-7-18(26-16)17-8-9-21-23-17)11-14-10-22-24-19(14)13-2-4-15(20)5-3-13/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyAEHHYMSNYGSKJP-UHFFFAOYSA-N
XLogP3.83
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzo[b]furan-2-yl-1H-pyrazole
CID 2805300
1-{[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}-3-(methoxymethyl)piperidine
CID 16188202
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-2-pyridin-4-ylethanamine
CID 16190175
1-[({[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}amino)methyl]cyclohexanol
CID 16192043
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
CID 16192147
3-(1-benzofuran-2-yl)-4-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-1H-pyrazole
CID 16192185
[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]furan-2-yl]-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone
CID 124042451
N-[(E)-(4-fluorophenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6862379
4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]thiomorpholine
CID 16188779
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16188959
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16190066
5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole
CID 2805853

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine (CID 46995333) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine is CN(Cc1ccc(-c2ccn[nH]2)o1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
The InChIKey is AEHHYMSNYGSKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-25(12-16-6-7-18(26-16)17-8-9-21-23-17)11-14-10-22-24-19(14)13-2-4-15(20)5-3-13/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine has a molecular weight of 351.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine is sourced from PubChem (CID 46995333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).