N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine

C19H20FN3O2 — CID 45229700

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine
SMILESFc1cccc(C2(CNc3ccnn3Cc3ccco3)CCOC2)c1
InChIInChI=1S/C19H20FN3O2/c20-16-4-1-3-15(11-16)19(7-10-24-14-19)13-21-18-6-8-22-23(18)12-17-5-2-9-25-17/h1-6,8-9,11,21H,7,10,12-14H2
InChIKeySIMFTXFVOXXISV-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.43
Rot. Bonds6

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine (PubChem CID 45229700) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine
PubChem CID45229700
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine
SMILESFc1cccc(C2(CNc3ccnn3Cc3ccco3)CCOC2)c1
InChIInChI=1S/C19H20FN3O2/c20-16-4-1-3-15(11-16)19(7-10-24-14-19)13-21-18-6-8-22-23(18)12-17-5-2-9-25-17/h1-6,8-9,11,21H,7,10,12-14H2
InChIKeySIMFTXFVOXXISV-UHFFFAOYSA-N
XLogP3.43
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-furylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 659919
2-methoxy-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790583
2-methyl-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793147
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817530
N-(2-furylmethyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2964175
N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24819211
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790300
N-[(5-Fluoro-1-benzofuran-2-YL)methyl]-1-methylpyrazol-3-amine
CID 71851056
N-[(5-Fluoro-1-benzofuran-2-YL)methyl]-2-methylpyrazol-3-amine
CID 71916691
2-[5-[(5-Ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 71969720
N-[(5-fluoro-1-benzofuran-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine
CID 72109098
2-[5-[(4-Fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 75388911

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine (CID 45229700) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine is Fc1cccc(C2(CNc3ccnn3Cc3ccco3)CCOC2)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine?
The InChIKey is SIMFTXFVOXXISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-4-1-3-15(11-16)19(7-10-24-14-19)13-21-18-6-8-22-23(18)12-17-5-2-9-25-17/h1-6,8-9,11,21H,7,10,12-14H2.
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine has a molecular weight of 341.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(furan-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 45229700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).