N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine

C12H18FN5 — CID 122166681

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CCF)nc1NCc1cn(C)nc1C
InChIInChI=1S/C12H18FN5/c1-9-7-18(5-4-13)16-12(9)14-6-11-8-17(3)15-10(11)2/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyDZHCHZZOPTYKSQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.82
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (PubChem CID 122166681) has the molecular formula C12H18FN5 and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
PubChem CID122166681
Molecular FormulaC12H18FN5
Molecular Weight251.31 g/mol
Exact Mass251.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CCF)nc1NCc1cn(C)nc1C
InChIInChI=1S/C12H18FN5/c1-9-7-18(5-4-13)16-12(9)14-6-11-8-17(3)15-10(11)2/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyDZHCHZZOPTYKSQ-UHFFFAOYSA-N
XLogP1.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-1H-tetrazole-1,5-diamine
CID 6891021
4-Chloro-1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176038
4-Chloro-1-((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176059
4-chloro-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616393
4-chloro-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616631
N,N,1,3-tetramethyl-4-[[(2-methylpyrazol-3-yl)methylamino]methyl]pyrazol-5-amine
CID 53569563
N,N,3-trimethyl-1-(2-methylpropyl)-4-[[(2-methylpyrazol-3-yl)methylamino]methyl]pyrazol-5-amine
CID 53603942
2-(1-methylpyrazol-4-yl)-N-[(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 136196689
N-[(1-methylpyrazol-4-yl)methyl]-1-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136262563
1-methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 60808842
N,N,1,3-tetramethyl-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrazol-5-amine
CID 51105179
N,N,1,3-tetramethyl-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]pyrazol-5-amine
CID 53540191

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (CID 122166681) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is Cc1cn(CCF)nc1NCc1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The InChIKey is DZHCHZZOPTYKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5/c1-9-7-18(5-4-13)16-12(9)14-6-11-8-17(3)15-10(11)2/h7-8H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine has a molecular weight of 251.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 122166681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).