N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine

C17H17F2N5 — CID 167845313

IUPACN-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine
SMILESFC1(F)CC1n1nccc1CNC(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C17H17F2N5/c18-17(19)8-15(17)24-13(6-7-23-24)9-21-16(14-10-20-11-22-14)12-4-2-1-3-5-12/h1-7,10-11,15-16,21H,8-9H2,(H,20,22)
InChIKeyPLNKPPOOSZEJMA-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.07
Rot. Bonds6

About N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine

N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine (PubChem CID 167845313) has the molecular formula C17H17F2N5 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine
PubChem CID167845313
Molecular FormulaC17H17F2N5
Molecular Weight329.35 g/mol
Exact Mass329.15
IUPAC NameN-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine
SMILESFC1(F)CC1n1nccc1CNC(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C17H17F2N5/c18-17(19)8-15(17)24-13(6-7-23-24)9-21-16(14-10-20-11-22-14)12-4-2-1-3-5-12/h1-7,10-11,15-16,21H,8-9H2,(H,20,22)
InChIKeyPLNKPPOOSZEJMA-UHFFFAOYSA-N
XLogP3.07
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine
CID 164896206
1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine
CID 136561379
N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine
CID 63109462
ethane;5-(1-phenylethyl)-1H-imidazole
CID 123176556
2-chloro-6-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol
CID 91110726
N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine
CID 165443973
N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-[2-(3-methylphenoxy)phenyl]methanamine
CID 166384498
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[[1H-imidazol-5-yl(phenyl)methyl]amino]methyl]pyrrolidin-3-ol
CID 146153814
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154855025

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine?
The IUPAC name of N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine (CID 167845313) is N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine.
What is the SMILES notation for N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine?
The canonical SMILES for N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine is FC1(F)CC1n1nccc1CNC(c1ccccc1)c1cnc[nH]1.
What is the InChIKey of N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine?
The InChIKey is PLNKPPOOSZEJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5/c18-17(19)8-15(17)24-13(6-7-23-24)9-21-16(14-10-20-11-22-14)12-4-2-1-3-5-12/h1-7,10-11,15-16,21H,8-9H2,(H,20,22).
What are the key properties of N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine?
N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine has a molecular weight of 329.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine is sourced from PubChem (CID 167845313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).