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

C16H18FN5 — CID 46992727

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H18FN5/c1-11-18-8-15(20-11)10-22(2)9-13-7-19-21-16(13)12-3-5-14(17)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySFUUKAPSSXYDHA-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.88
Rot. Bonds5

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

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine (PubChem CID 46992727) has the molecular formula C16H18FN5 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
PubChem CID46992727
Molecular FormulaC16H18FN5
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H18FN5/c1-11-18-8-15(20-11)10-22(2)9-13-7-19-21-16(13)12-3-5-14(17)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySFUUKAPSSXYDHA-UHFFFAOYSA-N
XLogP2.88
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine (CID 46992727) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine is Cc1ncc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The InChIKey is SFUUKAPSSXYDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5/c1-11-18-8-15(20-11)10-22(2)9-13-7-19-21-16(13)12-3-5-14(17)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine has a molecular weight of 299.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 46992727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).