1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine

C14H21N3O — CID 64771807

IUPAC1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccco1)NCc1ccn(C(C)C)n1
InChIInChI=1S/C14H21N3O/c1-11(2)17-7-6-13(16-17)10-15-12(3)9-14-5-4-8-18-14/h4-8,11-12,15H,9-10H2,1-3H3
InChIKeyUYTJLERUMDWXQY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.78
Rot. Bonds6

About 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine

1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine (PubChem CID 64771807) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
PubChem CID64771807
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccco1)NCc1ccn(C(C)C)n1
InChIInChI=1S/C14H21N3O/c1-11(2)17-7-6-13(16-17)10-15-12(3)9-14-5-4-8-18-14/h4-8,11-12,15H,9-10H2,1-3H3
InChIKeyUYTJLERUMDWXQY-UHFFFAOYSA-N
XLogP2.78
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106894984
1-(furan-2-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43783211
4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154857
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
1-(furan-2-yl)-N-(quinolin-2-ylmethyl)propan-2-amine
CID 61043173
1-(furan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 66398533
N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66416684
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine
CID 66379865
1-iodo-3-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 107859366
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine (CID 64771807) is 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine is CC(Cc1ccco1)NCc1ccn(C(C)C)n1.
What is the InChIKey of 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine?
The InChIKey is UYTJLERUMDWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)17-7-6-13(16-17)10-15-12(3)9-14-5-4-8-18-14/h4-8,11-12,15H,9-10H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine?
1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 64771807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).