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

C14H14F3N3 — CID 106210973

IUPACN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13(6-7-13)18-8-11-9-19-20-12(11)10-4-2-1-3-5-10/h1-5,9,18H,6-8H2,(H,19,20)
InChIKeyPFMJDAQZPVMEST-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.26
Rot. Bonds4

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

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210973) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210973
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13(6-7-13)18-8-11-9-19-20-12(11)10-4-2-1-3-5-10/h1-5,9,18H,6-8H2,(H,19,20)
InChIKeyPFMJDAQZPVMEST-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115671480
N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
CID 166195819
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99796602
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 94140110
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
trans-(1R,5R)-4,4-difluoro-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cycloheptane-1-carboxylic acid
CID 167787247
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063
2-[(R)-benzylsulfinyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 95341788

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210973) is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCc2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is PFMJDAQZPVMEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)13(6-7-13)18-8-11-9-19-20-12(11)10-4-2-1-3-5-10/h1-5,9,18H,6-8H2,(H,19,20).
What are the key properties of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 281.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).