1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine

C10H13N3O — CID 121212654

IUPAC1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(-c2ccoc2)n[nH]c1C
InChIInChI=1S/C10H13N3O/c1-7-9(5-11-2)10(13-12-7)8-3-4-14-6-8/h3-4,6,11H,5H2,1-2H3,(H,12,13)
InChIKeyCUOJXUDRUCNFHI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.70
Rot. Bonds3

About 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine

1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine (PubChem CID 121212654) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
PubChem CID121212654
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(-c2ccoc2)n[nH]c1C
InChIInChI=1S/C10H13N3O/c1-7-9(5-11-2)10(13-12-7)8-3-4-14-6-8/h3-4,6,11H,5H2,1-2H3,(H,12,13)
InChIKeyCUOJXUDRUCNFHI-UHFFFAOYSA-N
XLogP1.70
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine
CID 54851114
1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
CID 54850927
5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
CID 121212601
4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole
CID 121212608
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106518129
2-[[3-[4-(furan-2-yl)phenyl]-5-methyl-1H-pyrazol-4-yl]methyl]phenol
CID 121269542
N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 54851106
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
1-(furan-3-yl)-N-methylmethanamine;molecular hydrogen
CID 156853775
5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
CID 121212603
(2R)-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]pent-4-yne-1,2-diamine
CID 87717706

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine (CID 121212654) is 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine is CNCc1c(-c2ccoc2)n[nH]c1C.
What is the InChIKey of 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is CUOJXUDRUCNFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-9(5-11-2)10(13-12-7)8-3-4-14-6-8/h3-4,6,11H,5H2,1-2H3,(H,12,13).
What are the key properties of 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine?
1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 191.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 121212654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).