(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine

C10H16FN3 — CID 155452062

IUPAC(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine
SMILESCCCN(C)/C=C(\C)c1[nH]ncc1F
InChIInChI=1S/C10H16FN3/c1-4-5-14(3)7-8(2)10-9(11)6-12-13-10/h6-7H,4-5H2,1-3H3,(H,12,13)/b8-7+
InChIKeyWFRBNAGXOQZERL-BQYQJAHWSA-N
MW197.26 g/mol
LogP2.25
Rot. Bonds4

About (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine

(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine (PubChem CID 155452062) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine
PubChem CID155452062
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine
SMILESCCCN(C)/C=C(\C)c1[nH]ncc1F
InChIInChI=1S/C10H16FN3/c1-4-5-14(3)7-8(2)10-9(11)6-12-13-10/h6-7H,4-5H2,1-3H3,(H,12,13)/b8-7+
InChIKeyWFRBNAGXOQZERL-BQYQJAHWSA-N
XLogP2.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isopropenylpyrazole
CID 11105329
5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole
CID 90732791
5-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]-4-methyl-1H-pyrazole
CID 123188772
5-[(3E)-2-fluorohepta-1,3,5-trien-4-yl]-4-methyl-1H-pyrazole
CID 123371916
N'-[[5-[(3E,5E)-5-fluorohepta-3,5-dien-3-yl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 129210460
N-[1-[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]ethenyl]-2,2-dimethyl-N-prop-2-enylpropan-1-amine
CID 134466444
5-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-1H-pyrazole
CID 144274529
4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-5-(4-fluorocyclohexa-1,3-dien-1-yl)-1H-pyrazole
CID 146648712
5-[(2Z)-3-(2-fluoropropan-2-yl)penta-2,4-dien-2-yl]-4-methyl-1H-pyrazole
CID 156099565
(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-propan-2-ylprop-1-ene-1,3-diamine
CID 166999923
(Z)-3-(2,2,2-trifluoroethylimino)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]prop-1-en-1-amine
CID 170639627
5-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1H-pyrazole
CID 170977391

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine?
The IUPAC name of (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine (CID 155452062) is (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine?
The canonical SMILES for (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine is CCCN(C)/C=C(\C)c1[nH]ncc1F.
What is the InChIKey of (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine?
The InChIKey is WFRBNAGXOQZERL-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H16FN3/c1-4-5-14(3)7-8(2)10-9(11)6-12-13-10/h6-7H,4-5H2,1-3H3,(H,12,13)/b8-7+.
What are the key properties of (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine?
(E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine has a molecular weight of 197.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-fluoro-1H-pyrazol-5-yl)-N-methyl-N-propylprop-1-en-1-amine is sourced from PubChem (CID 155452062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).