1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine

C12H14FN3 — CID 130992839

IUPAC1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
SMILESFCCNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H14FN3/c13-6-7-14-12-8-15-16(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,14H,6-7,9H2
InChIKeyNZDMRWFHUQRUFD-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.31
Rot. Bonds5

About 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine

1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine (PubChem CID 130992839) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
PubChem CID130992839
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
SMILESFCCNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H14FN3/c13-6-7-14-12-8-15-16(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,14H,6-7,9H2
InChIKeyNZDMRWFHUQRUFD-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350
1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
CID 43543523
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
CID 62999432

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine (CID 130992839) is 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine is FCCNc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine?
The InChIKey is NZDMRWFHUQRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-6-7-14-12-8-15-16(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,14H,6-7,9H2.
What are the key properties of 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine?
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine has a molecular weight of 219.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 130992839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).