N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine

C16H25N3O2 — CID 114660729

IUPACN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H25N3O2/c1-6-8-17-15(13-7-9-21-12(13)4)16-14(20-5)10-18-19(16)11(2)3/h7,9-11,15,17H,6,8H2,1-5H3
InChIKeyFUZPMSKHJOWKLW-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.46
Rot. Bonds7

About N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 114660729) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID114660729
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H25N3O2/c1-6-8-17-15(13-7-9-21-12(13)4)16-14(20-5)10-18-19(16)11(2)3/h7,9-11,15,17H,6,8H2,1-5H3
InChIKeyFUZPMSKHJOWKLW-UHFFFAOYSA-N
XLogP3.46
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660721
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923904
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114660187
1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 106858742
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114651554
N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 114661336
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methyl]hydrazine
CID 105200451
N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625510
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105048293
N-[(3-fluoro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114659387
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522
N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114646374

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine (CID 114660729) is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1C)c1c(OC)cnn1C(C)C.
What is the InChIKey of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is FUZPMSKHJOWKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-8-17-15(13-7-9-21-12(13)4)16-14(20-5)10-18-19(16)11(2)3/h7,9-11,15,17H,6,8H2,1-5H3.
What are the key properties of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114660729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).