N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine

C18H18FN3O — CID 141299031

IUPACN-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2ccc(NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H18FN3O/c1-23-17-8-4-15(5-9-17)13-22-11-10-18(21-22)20-12-14-2-6-16(19)7-3-14/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeySIWBHBHMQYZOPF-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.69
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine

N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine (PubChem CID 141299031) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
PubChem CID141299031
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2ccc(NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H18FN3O/c1-23-17-8-4-15(5-9-17)13-22-11-10-18(21-22)20-12-14-2-6-16(19)7-3-14/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeySIWBHBHMQYZOPF-UHFFFAOYSA-N
XLogP3.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
1-((3,4-dimethoxyphenyl)methyl)-1H-pyrazol-5-amine
CID 3154154
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560394
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(oxetan-3-yloxy)phenyl]acetamide
CID 118560543
2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560613
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]acetamide
CID 126740697
1-(2-Methoxybenzyl)-1H-pyrazol-5-amine
CID 3161263
1-(4-methoxybenzyl)-1H-pyrazol-3-amine
CID 17972321
1-((4-methoxyphenyl)methyl)-1H-pyrazol-5-amine
CID 3161262
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine (CID 141299031) is N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine is COc1ccc(Cn2ccc(NCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
The InChIKey is SIWBHBHMQYZOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-23-17-8-4-15(5-9-17)13-22-11-10-18(21-22)20-12-14-2-6-16(19)7-3-14/h2-11H,12-13H2,1H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine has a molecular weight of 311.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 141299031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).