1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

C11H14ClN3O — CID 114660754

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1occc1C)c1c(Cl)cnn1C
InChIInChI=1S/C11H14ClN3O/c1-7-4-5-16-11(7)9(13-2)10-8(12)6-14-15(10)3/h4-6,9,13H,1-3H3
InChIKeyMWDPHAGMISWRAE-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.28
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (PubChem CID 114660754) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
PubChem CID114660754
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1occc1C)c1c(Cl)cnn1C
InChIInChI=1S/C11H14ClN3O/c1-7-4-5-16-11(7)9(13-2)10-8(12)6-14-15(10)3/h4-6,9,13H,1-3H3
InChIKeyMWDPHAGMISWRAE-UHFFFAOYSA-N
XLogP2.28
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269452
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762
(4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine
CID 114660739
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755909
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 115483955
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105185977
1-(4-chloro-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105186116
[(2-bromofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106860241
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114660153
1-(1-benzofuran-2-yl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651275
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106693217

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (CID 114660754) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is CNC(c1occc1C)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is MWDPHAGMISWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-7-4-5-16-11(7)9(13-2)10-8(12)6-14-15(10)3/h4-6,9,13H,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine has a molecular weight of 239.71 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 114660754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).