N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine

C16H20FN3 — CID 167830620

IUPACN-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine
SMILESFCCn1ccc(NCC2(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H20FN3/c17-9-11-20-10-6-15(19-20)18-13-16(7-8-16)12-14-4-2-1-3-5-14/h1-6,10H,7-9,11-13H2,(H,18,19)
InChIKeyUAZHJHZOSOKLLH-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.29
Rot. Bonds7

About N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine

N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine (PubChem CID 167830620) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine
PubChem CID167830620
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine
SMILESFCCn1ccc(NCC2(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H20FN3/c17-9-11-20-10-6-15(19-20)18-13-16(7-8-16)12-14-4-2-1-3-5-14/h1-6,10H,7-9,11-13H2,(H,18,19)
InChIKeyUAZHJHZOSOKLLH-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine?
The IUPAC name of N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine (CID 167830620) is N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine is FCCn1ccc(NCC2(Cc3ccccc3)CC2)n1.
What is the InChIKey of N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine?
The InChIKey is UAZHJHZOSOKLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c17-9-11-20-10-6-15(19-20)18-13-16(7-8-16)12-14-4-2-1-3-5-14/h1-6,10H,7-9,11-13H2,(H,18,19).
What are the key properties of N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine?
N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine has a molecular weight of 273.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclopropyl)methyl]-1-(2-fluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 167830620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).