4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

C15H23N3O — CID 105154857

IUPAC4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCNC(CCc1ccco1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H23N3O/c1-12(2)18-9-8-14(17-18)11-13(16-3)6-7-15-5-4-10-19-15/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3
InChIKeyGKEFTPYKYNHSNL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.82
Rot. Bonds7

About 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 105154857) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID105154857
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCNC(CCc1ccco1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H23N3O/c1-12(2)18-9-8-14(17-18)11-13(16-3)6-7-15-5-4-10-19-15/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3
InChIKeyGKEFTPYKYNHSNL-UHFFFAOYSA-N
XLogP2.82
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771807
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
4-(furan-2-yl)-N-methyl-1-naphthalen-1-ylbutan-2-amine
CID 61078586
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
1-(furan-2-yl)-N-methyloct-6-yn-3-amine
CID 105181452
[4-(furan-2-yl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066795
[4-(2-methylphenyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine
CID 105312665
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
N,3-dimethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 114221982
N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
CID 64770856

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 105154857) is 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is CNC(CCc1ccco1)Cc1ccn(C(C)C)n1.
What is the InChIKey of 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is GKEFTPYKYNHSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)18-9-8-14(17-18)11-13(16-3)6-7-15-5-4-10-19-15/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3.
What are the key properties of 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 105154857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).