(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine

C22H22FN5 — CID 92854442

IUPAC(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1F
InChIInChI=1S/C22H22FN5/c1-27-12-11-24-22(27)21(19-9-5-6-10-20(19)23)25-13-18-14-26-28(16-18)15-17-7-3-2-4-8-17/h2-12,14,16,21,25H,13,15H2,1H3/t21-/m1/s1
InChIKeyPJJGRUVKBIIUNA-OAQYLSRUSA-N
MW375.45 g/mol
LogP3.68
Rot. Bonds7

About (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine

(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 92854442) has the molecular formula C22H22FN5 and a molecular weight of 375.45 g/mol. Its IUPAC name is (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
PubChem CID92854442
Molecular FormulaC22H22FN5
Molecular Weight375.45 g/mol
Exact Mass375.19
IUPAC Name(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1F
InChIInChI=1S/C22H22FN5/c1-27-12-11-24-22(27)21(19-9-5-6-10-20(19)23)25-13-18-14-26-28(16-18)15-17-7-3-2-4-8-17/h2-12,14,16,21,25H,13,15H2,1H3/t21-/m1/s1
InChIKeyPJJGRUVKBIIUNA-OAQYLSRUSA-N
XLogP3.68
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 92854436
(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 92854396
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
1-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154814655
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61349832
1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea
CID 36508070
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine
CID 31560301
2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
1-[2-(4-chlorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36505789
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine (CID 92854442) is (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine is Cn1ccnc1[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1F.
What is the InChIKey of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is PJJGRUVKBIIUNA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22FN5/c1-27-12-11-24-22(27)21(19-9-5-6-10-20(19)23)25-13-18-14-26-28(16-18)15-17-7-3-2-4-8-17/h2-12,14,16,21,25H,13,15H2,1H3/t21-/m1/s1.
What are the key properties of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 375.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 92854442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).