1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine

C21H22F2N4 — CID 45200383

IUPAC1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
SMILESFc1ccc(-c2[nH]ncc2CNC2CCN(Cc3ccccc3)C2)c(F)c1
InChIInChI=1S/C21H22F2N4/c22-17-6-7-19(20(23)10-17)21-16(12-25-26-21)11-24-18-8-9-27(14-18)13-15-4-2-1-3-5-15/h1-7,10,12,18,24H,8-9,11,13-14H2,(H,25,26)
InChIKeyAPCXSKTWNJOYMZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.72
Rot. Bonds6

About 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine

1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine (PubChem CID 45200383) has the molecular formula C21H22F2N4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
PubChem CID45200383
Molecular FormulaC21H22F2N4
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Name1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
SMILESFc1ccc(-c2[nH]ncc2CNC2CCN(Cc3ccccc3)C2)c(F)c1
InChIInChI=1S/C21H22F2N4/c22-17-6-7-19(20(23)10-17)21-16(12-25-26-21)11-24-18-8-9-27(14-18)13-15-4-2-1-3-5-15/h1-7,10,12,18,24H,8-9,11,13-14H2,(H,25,26)
InChIKeyAPCXSKTWNJOYMZ-UHFFFAOYSA-N
XLogP3.72
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485179
N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 82973618
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 167821422
1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 30723061
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
CID 42529390
1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 43150727
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 31043834
(3S,4S)-4-(4-fluorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-ol
CID 50984812
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine (CID 45200383) is 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine is Fc1ccc(-c2[nH]ncc2CNC2CCN(Cc3ccccc3)C2)c(F)c1.
What is the InChIKey of 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
The InChIKey is APCXSKTWNJOYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4/c22-17-6-7-19(20(23)10-17)21-16(12-25-26-21)11-24-18-8-9-27(14-18)13-15-4-2-1-3-5-15/h1-7,10,12,18,24H,8-9,11,13-14H2,(H,25,26).
What are the key properties of 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine has a molecular weight of 368.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 45200383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).