(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine

C11H14ClN3O — CID 106692049

IUPAC(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccoc1Cl
InChIInChI=1S/C11H14ClN3O/c1-2-6-15-9(3-5-14-15)10(13)8-4-7-16-11(8)12/h3-5,7,10H,2,6,13H2,1H3
InChIKeyQVXZHAWUADNWKB-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.59
Rot. Bonds4

About (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine

(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 106692049) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID106692049
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccoc1Cl
InChIInChI=1S/C11H14ClN3O/c1-2-6-15-9(3-5-14-15)10(13)8-4-7-16-11(8)12/h3-5,7,10H,2,6,13H2,1H3
InChIKeyQVXZHAWUADNWKB-UHFFFAOYSA-N
XLogP2.59
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 114104356
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397
(2-ethylpyrazol-3-yl)-(2-methylfuran-3-yl)methanamine
CID 104789763
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanamine
CID 63976573
(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 106689402
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine (CID 106692049) is (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is QVXZHAWUADNWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-2-6-15-9(3-5-14-15)10(13)8-4-7-16-11(8)12/h3-5,7,10H,2,6,13H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine?
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 239.71 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 106692049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).