[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine

C16H17N3O — CID 106888657

IUPAC[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccc(CN)o1
InChIInChI=1S/C16H17N3O/c1-11-16(15-9-8-14(10-17)20-15)12(2)19(18-11)13-6-4-3-5-7-13/h3-9H,10,17H2,1-2H3
InChIKeyCVWUJHMNRPMPQG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.21
Rot. Bonds3

About [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine

[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine (PubChem CID 106888657) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine
PubChem CID106888657
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccc(CN)o1
InChIInChI=1S/C16H17N3O/c1-11-16(15-9-8-14(10-17)20-15)12(2)19(18-11)13-6-4-3-5-7-13/h3-9H,10,17H2,1-2H3
InChIKeyCVWUJHMNRPMPQG-UHFFFAOYSA-N
XLogP3.21
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 141063590
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 82106390
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine
CID 82106387
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine
CID 115039542
3-chloro-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)aniline
CID 107616169
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine (CID 106888657) is [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine is Cc1nn(-c2ccccc2)c(C)c1-c1ccc(CN)o1.
What is the InChIKey of [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine?
The InChIKey is CVWUJHMNRPMPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-16(15-9-8-14(10-17)20-15)12(2)19(18-11)13-6-4-3-5-7-13/h3-9H,10,17H2,1-2H3.
What are the key properties of [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine?
[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine is sourced from PubChem (CID 106888657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).