1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine

C13H20FN5 — CID 122166940

IUPAC1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCCCn1cc(CNc2nn(CCF)cc2C)cn1
InChIInChI=1S/C13H20FN5/c1-3-5-18-10-12(8-16-18)7-15-13-11(2)9-19(17-13)6-4-14/h8-10H,3-7H2,1-2H3,(H,15,17)
InChIKeyWNTRUKOHYDZFSC-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.38
Rot. Bonds7

About 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine

1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 122166940) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID122166940
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC Name1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCCCn1cc(CNc2nn(CCF)cc2C)cn1
InChIInChI=1S/C13H20FN5/c1-3-5-18-10-12(8-16-18)7-15-13-11(2)9-19(17-13)6-4-14/h8-10H,3-7H2,1-2H3,(H,15,17)
InChIKeyWNTRUKOHYDZFSC-UHFFFAOYSA-N
XLogP2.38
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
CID 122167702
1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
CID 122167858
N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-3-amine;hydrochloride
CID 126966977
1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166515
1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964967
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
CID 126965424
1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913154
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167868
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 122166940) is 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine is CCCn1cc(CNc2nn(CCF)cc2C)cn1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is WNTRUKOHYDZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-3-5-18-10-12(8-16-18)7-15-13-11(2)9-19(17-13)6-4-14/h8-10H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine?
1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 265.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122166940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).