N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine

C13H15F2N3 — CID 122168541

IUPACN-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFCCn1ccc(CNCc2ccc(F)cc2)n1
InChIInChI=1S/C13H15F2N3/c14-6-8-18-7-5-13(17-18)10-16-9-11-1-3-12(15)4-2-11/h1-5,7,16H,6,8-10H2
InChIKeyMDJBDZHOCYVHDA-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.28
Rot. Bonds6

About N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine

N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 122168541) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine
PubChem CID122168541
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFCCn1ccc(CNCc2ccc(F)cc2)n1
InChIInChI=1S/C13H15F2N3/c14-6-8-18-7-5-13(17-18)10-16-9-11-1-3-12(15)4-2-11/h1-5,7,16H,6,8-10H2
InChIKeyMDJBDZHOCYVHDA-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]methanamine
CID 122168274
1-[1-(2-fluoroethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 126967555
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126968344
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 165470187
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
N-[(3,5-difluorophenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122168020
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 124932393
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine
CID 122168263
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-propylpyrazol-3-yl)methanamine
CID 122167663
1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126964397

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine (CID 122168541) is N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine is FCCn1ccc(CNCc2ccc(F)cc2)n1.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is MDJBDZHOCYVHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c14-6-8-18-7-5-13(17-18)10-16-9-11-1-3-12(15)4-2-11/h1-5,7,16H,6,8-10H2.
What are the key properties of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine?
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 251.28 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 122168541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).