1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine

C14H12F3N5 — CID 141330005

IUPAC1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine
SMILESNc1nn(Cc2ccccc2)cc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H12F3N5/c15-14(16,17)12-6-11(19-20-12)10-8-22(21-13(10)18)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,18,21)(H,19,20)
InChIKeyKSNFHQVQXZINBZ-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.92
Rot. Bonds3

About 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine

1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine (PubChem CID 141330005) has the molecular formula C14H12F3N5 and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine
PubChem CID141330005
Molecular FormulaC14H12F3N5
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine
SMILESNc1nn(Cc2ccccc2)cc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H12F3N5/c15-14(16,17)12-6-11(19-20-12)10-8-22(21-13(10)18)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,18,21)(H,19,20)
InChIKeyKSNFHQVQXZINBZ-UHFFFAOYSA-N
XLogP2.92
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1H-pyrazol-3-amine
CID 1508616
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
1-(4-Fluorobenzyl)-1H-pyrazol-3-amine
CID 573281
1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
CID 7147386
3-Amino-5-(4-fluorophenyl)-4-(4-pyridyl)pyrazole
CID 15513101
1-(2-Fluoro-benzyl)-1H-pyrazol-3-ylamine
CID 3424808
1-(3-fluorobenzyl)-1H-pyrazol-3-amine
CID 6483868
US10155727, Example 44
CID 118864198
US10155727, Example 41
CID 118864287
US10155727, Example 40
CID 118864296
US10155727, Example 93
CID 118864321
US10155727, Example 46
CID 118864329

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine?
The IUPAC name of 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine (CID 141330005) is 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine.
What is the SMILES notation for 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine?
The canonical SMILES for 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine is Nc1nn(Cc2ccccc2)cc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine?
The InChIKey is KSNFHQVQXZINBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5/c15-14(16,17)12-6-11(19-20-12)10-8-22(21-13(10)18)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,18,21)(H,19,20).
What are the key properties of 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine?
1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine has a molecular weight of 307.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine is sourced from PubChem (CID 141330005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).