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

C10H12ClN3O — CID 114660739

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1c(Cl)cnn1C
InChIInChI=1S/C10H12ClN3O/c1-6-3-4-15-10(6)8(12)9-7(11)5-13-14(9)2/h3-5,8H,12H2,1-2H3
InChIKeyMUMFIZNOLQWTLQ-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.02
Rot. Bonds2

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

(4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine (PubChem CID 114660739) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine
PubChem CID114660739
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1c(Cl)cnn1C
InChIInChI=1S/C10H12ClN3O/c1-6-3-4-15-10(6)8(12)9-7(11)5-13-14(9)2/h3-5,8H,12H2,1-2H3
InChIKeyMUMFIZNOLQWTLQ-UHFFFAOYSA-N
XLogP2.02
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.02
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-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660754
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 105046611
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
[(2-bromofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106860241
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114646653
(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
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine (CID 114660739) is (4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine is Cc1ccoc1C(N)c1c(Cl)cnn1C.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine?
The InChIKey is MUMFIZNOLQWTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-6-3-4-15-10(6)8(12)9-7(11)5-13-14(9)2/h3-5,8H,12H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine?
(4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methanamine has a molecular weight of 225.68 g/mol, XLogP of 2.02, 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)-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 114660739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).