(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine

C11H14ClN3O — CID 105046611

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2c(Cl)cnn2C)c(C)o1
InChIInChI=1S/C11H14ClN3O/c1-6-4-8(7(2)16-6)10(13)11-9(12)5-14-15(11)3/h4-5,10H,13H2,1-3H3
InChIKeySLCNMEIXJPRWKQ-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.33
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine

(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 105046611) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID105046611
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2c(Cl)cnn2C)c(C)o1
InChIInChI=1S/C11H14ClN3O/c1-6-4-8(7(2)16-6)10(13)11-9(12)5-14-15(11)3/h4-5,10H,13H2,1-3H3
InChIKeySLCNMEIXJPRWKQ-UHFFFAOYSA-N
XLogP2.33
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047134
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114025423
(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105336355
(4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine
CID 114660739
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105040716
(4-chloro-1-methylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103128263
(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046832
(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114646653
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine (CID 105046611) is (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2c(Cl)cnn2C)c(C)o1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is SLCNMEIXJPRWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-6-4-8(7(2)16-6)10(13)11-9(12)5-14-15(11)3/h4-5,10H,13H2,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine?
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 239.71 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 105046611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).