1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine

C19H18FN3 — CID 167879943

IUPAC1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine
SMILESFc1ccc(C2(NCc3cc(-c4ccccc4)n[nH]3)CC2)cc1
InChIInChI=1S/C19H18FN3/c20-16-8-6-15(7-9-16)19(10-11-19)21-13-17-12-18(23-22-17)14-4-2-1-3-5-14/h1-9,12,21H,10-11,13H2,(H,22,23)
InChIKeyXGBKHZUNIXTZOB-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine

1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine (PubChem CID 167879943) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine
PubChem CID167879943
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine
SMILESFc1ccc(C2(NCc3cc(-c4ccccc4)n[nH]3)CC2)cc1
InChIInChI=1S/C19H18FN3/c20-16-8-6-15(7-9-16)19(10-11-19)21-13-17-12-18(23-22-17)14-4-2-1-3-5-14/h1-9,12,21H,10-11,13H2,(H,22,23)
InChIKeyXGBKHZUNIXTZOB-UHFFFAOYSA-N
XLogP3.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
CID 62111862
N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 55558621
1-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111510
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 55035469
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
CID 82392813
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111696
5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
CID 90699274
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484321
5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529456
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
CID 46966193

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine (CID 167879943) is 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine is Fc1ccc(C2(NCc3cc(-c4ccccc4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is XGBKHZUNIXTZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c20-16-8-6-15(7-9-16)19(10-11-19)21-13-17-12-18(23-22-17)14-4-2-1-3-5-14/h1-9,12,21H,10-11,13H2,(H,22,23).
What are the key properties of 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine?
1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 307.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 167879943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).