4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid

C15H18F3N3O4 — CID 154889102

IUPAC4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(-c2cc(CN3CCOCC3)[nH]n2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17N3O2.C2HF3O2/c1-10-2-3-13(18-10)12-8-11(14-15-12)9-16-4-6-17-7-5-16;3-2(4,5)1(6)7/h2-3,8H,4-7,9H2,1H3,(H,14,15);(H,6,7)
InChIKeySASKKVIIDKHGRZ-UHFFFAOYSA-N
MW361.32 g/mol
LogP2.44
Rot. Bonds3

About 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid

4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 154889102) has the molecular formula C15H18F3N3O4 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid
PubChem CID154889102
Molecular FormulaC15H18F3N3O4
Molecular Weight361.32 g/mol
Exact Mass361.12
IUPAC Name4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(-c2cc(CN3CCOCC3)[nH]n2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17N3O2.C2HF3O2/c1-10-2-3-13(18-10)12-8-11(14-15-12)9-16-4-6-17-7-5-16;3-2(4,5)1(6)7/h2-3,8H,4-7,9H2,1H3,(H,14,15);(H,6,7)
InChIKeySASKKVIIDKHGRZ-UHFFFAOYSA-N
XLogP2.44
TPSA91.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine
CID 2764503
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
2-{4-[5-(2-furyl)-1H-pyrazol-3-yl]piperidino}acetonitrile
CID 2764506
5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide
CID 19513871
1-(4-fluorophenyl)-4-{[3-(2-furyl)-1H-pyrazol-5-yl]carbonyl}piperazine
CID 20906461
N-[2-(1-cyclohexen-1-yl)ethyl]-3-(5-methyl-2-furyl)-1H-pyrazole-5-carboxamide
CID 70781127
(3R,5S)-5-[[(2E)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
CID 155512838
(3R,5R)-5-[2-[(2E)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid
CID 155530361
(3R,5S)-5-[(2E)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methylidene]hydrazinyl]piperidine-3-carboxylic acid
CID 155569445
[5-(1-{[3-(5-methyl-2-furyl)-1H-pyrazol-5-yl]carbonyl}piperidin-4-yl)-1H-pyrazol-3-yl]acetic acid
CID 56717030
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(furan-2-yl)-1H-pyrazole-5-carboxamide
CID 6624963
ethyl 4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 19515134

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid (CID 154889102) is 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid is Cc1ccc(-c2cc(CN3CCOCC3)[nH]n2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is SASKKVIIDKHGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.C2HF3O2/c1-10-2-3-13(18-10)12-8-11(14-15-12)9-16-4-6-17-7-5-16;3-2(4,5)1(6)7/h2-3,8H,4-7,9H2,1H3,(H,14,15);(H,6,7).
What are the key properties of 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid?
4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 361.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]methyl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154889102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).